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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
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-97-0highhighhighC6H12N4140.1891.5849
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100-55-0nonenonenoneC6H7NO109.128-1.9045
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
10003-67-5nonenonenoneC33H62O6554.849-22.973
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100-62-9lownonenoneC7H7N105.14-1.1924
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100-91-4nonenonehighC17H25NO3291.393.3475
100-66-3highnonehighC7H8O108.14-2.0846
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
100-71-0nonenonenoneC7H9N107.155-2.2725
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100-52-7highhighhighC7H6O106.124-4.225
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
100-87-8nonenonenoneC7H8O3S172.204-10.732
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100-44-7highhighnoneC7H7Cl126.586-2.365
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100-93-6highhighhighC19H18N2O2S338.43-12.848
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
100-18-5nonenonenoneC12H18162.275-2.5088
1000304-40-4nonenonenoneC11H17NO179.2622.2651
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-40-3nonenonehighC8H12108.183-9.1684
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100-82-3nonenonenoneC7H8NF125.146-3.4112
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100-22-1highhighnoneC10H16N2164.2510.40939
1000-86-8nonenonenoneC7H1296.1723-10.397
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
1000-57-3highnonelowC6H16SSn238.969-7.4261
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100-76-5nonenonehighC7H13N111.1873.5517
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100-69-6nonenonenoneC7H7N105.14-4.4598
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885