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1000018 10 9 | Cheminformatics

Chemical : 2,6-Dibromo-5-ethoxypyridin-3-amine

Casrn : 1000018-10-9

MolName : 2,6-Dibromo-5-ethoxypyridin-3-amine

MolecularFormula : C7H8N2OBr2

Smiles : CCOc(c(Br)n1)cc(N)c1Br

InChI : InChI=1S/C7H8Br2N2O/c1-2-12-5-3-4(10)6(8)11-7(5)9/h3H,2,10H2,1H3

InChIK : JBYDYHKAHAUMOL-UHFFFAOYSA-N

CanonicalSyTyLFy : e9fb9017a4ace5c7

TotalMolweight : 295.962

Molweight : 295.962

MonoisotopicMass : 293.900335

CLogP : 1.9629

CLogS : -2.409

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 153.82

Relative PSA : 0.2356

PolarSurfaceArea : 48.14

Druglikeness : -5.2121

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.66667

Molecula Flexibility : 0.12336

Molecular Complexity : 0.70568

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Amines : 1

Aromatic Amines : 1

Aromatic Nitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
10-00-4nonenonenoneC28H34O8498.57-4.8409
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000-86-8nonenonenoneC7H1296.1723-10.397
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100-93-6highhighhighC19H18N2O2S338.43-12.848
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
100-52-7highhighhighC7H6O106.124-4.225
100-13-0nonenonelowC8H7NO2149.149-10.212
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100-21-0highnonehighC8H6O4166.132-1.8442
100-89-0nonenonelowC18H36O6B2370.1-16.157
100018-96-0highhighnoneC20H39O2I438.428-31.232
100021-46-3nonenonenoneC9H11NO2165.191-3.1955
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100-73-2highnonenoneC6H8O2112.128-6.3422
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
1000-83-5lowhighhighC2H6N2OS106.149-2.264
017257-81-7nonenonenoneC6H10O2114.1430.9106
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-63-0highhighnoneC6H8N2108.144-4.3224
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
100-09-4nonenonenoneC8H8O3152.149-1.597
1000269-65-7nonenonenoneC12H19N3205.3040.25629
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100-49-2nonenonenoneC7H14O114.187-9.3679
100033-59-8nonenonenoneC8H16N2140.2290.9406
100-62-9lownonenoneC7H7N105.14-1.1924
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000284-53-6nonenonehighC18H36O2284.482-15.583
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100020-83-5nonenonelowC7H11O3B153.972-20.814
100-51-6highhighhighC7H8O108.14-2.2456
100-64-1highhighnoneC6H11NO113.159-6.4182
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575