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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
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100010-99-9nonenonenoneC11H24O2188.31-23.185
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
100005-68-3nonenonenoneC13H12O4232.234-4.9451
1000303-67-2nonenonenoneC6H8N2O124.1432.717
100004-94-2nonenonenoneC13H11NO2213.235-1.5864
1000-30-2nonenonehighC9H16O140.225-7.4662
100009-92-5nonenonenoneC20H23NO4341.4064.6216
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000-50-6nonenonehighC6H15ClSi150.724-84.768
1000-36-8nonenonenoneC11H25O3P236.29-27.011
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100-61-8highnonenoneC7H9N107.155-0.23765
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100-83-4highnonelowC7H6O2122.123-4.1407
100-06-1nonenonenoneC9H10O2150.176-1.6836
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100-66-3highnonehighC7H8O108.14-2.0846
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100-62-9lownonenoneC7H7N105.14-1.1924
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100-82-3nonenonenoneC7H8NF125.146-3.4112
100033-59-8nonenonenoneC8H16N2140.2290.9406
100-49-2nonenonenoneC7H14O114.187-9.3679
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000284-35-4nonenonehighC16H24O4280.363-11.936
100-46-9nonenonenoneC7H9N107.155-2.0712
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100-79-8nonelownoneC6H12O3132.158-9.8672
100-28-7highlowlowC7H4N2O3164.12-21.552
1000304-40-4nonenonenoneC11H17NO179.2622.2651
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100-92-5nonenonenoneC11H17N163.2631.1672
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100-39-0highhighnoneC7H7Br171.037-7.8241
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766