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3-(2-Methoxyphenyl)pyridine-4-carboxylic acid | C13H11NO3 - Chemryt

Chemical : 3-(2-Methoxyphenyl)pyridine-4-carboxylic acid

Casrn : 100004-81-7

MolName : 3-(2-Methoxyphenyl)pyridine-4-carboxylic acid

MolecularFormula : C13H11NO3

Smiles : COc(cccc1)c1-c(cncc1)c1C(O)=O

InChI : InChI=1S/C13H11NO3/c1-17-12-5-3-2-4-9(12)11-8-14-7-6-10(11)13(15)16/h2-8H,1H3,(H,15,16)

InChIK : MEYHBIZGGUXZHE-UHFFFAOYSA-N

CanonicalSyTyLFy : 98cb334b06935f99

TotalMolweight : 229.234

Molweight : 229.234

MonoisotopicMass : 229.073894

CLogP : 1.733

CLogS : -2.938

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 178.14

Relative PSA : 0.26445

PolarSurfaceArea : 59.42

Druglikeness : -1.3547

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.47059

Molecula Flexibility : 0.3743

Molecular Complexity : 0.75329

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 3

Aromatic Nitrogens : 1

AcidicOxygens : 1

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
10001-13-5nonenonehighC12H22N2O210.323.9217
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100-57-2highlowlowC6H6OHg294.703-2.3891
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100-54-9nonenonenoneC6H4N2104.112-6.0498
100007-54-3nonenonenoneC28H30O13574.533-1.9839
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100-45-8nonenonehighC7H9N107.155-10.018
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100-10-7nonehighhighC9H11NO149.192-1.8715
100-22-1highhighnoneC10H16N2164.2510.40939
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100-86-7nonenonenoneC10H14O150.22-2.4187
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
100-92-5nonenonenoneC11H17N163.2631.1672
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100-18-5nonenonenoneC12H18162.275-2.5088
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
1000-41-5nonenonelowC10H18O154.252-9.05
100-20-9highnonelowC8H4O2Cl2203.024-10.706
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-06-1nonenonenoneC9H10O2150.176-1.6836
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000-00-6nonenonehighC10H26OSi2218.487-62.76
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000-50-6nonenonehighC6H15ClSi150.724-84.768
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
100020-95-9highnonelowC12H17OCl212.719-11.962
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000339-31-0nonenonehighC12H16NCl209.7190.65299
10001-51-1nonenonenoneC9H18N2O170.2555.9677
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100033-59-8nonenonenoneC8H16N2140.2290.9406
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100017-22-9highhighhighC5H8O2100.117-8.1063
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100-91-4nonenonehighC17H25NO3291.393.3475
10001-08-8nonenonehighC11H22N2O198.309-3.1037