2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile

C19H13BrClN3O — CID 3379851

IUPAC2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cc1Br
InChIInChI=1S/C19H13BrClN3O/c1-25-18-7-4-12(8-16(18)20)14-9-17(24-19(23)15(14)10-22)11-2-5-13(21)6-3-11/h2-9H,1H3,(H2,23,24)
InChIKeyXZFOTINRBKNWJA-UHFFFAOYSA-N
MW414.69 g/mol
LogP5.29
Rot. Bonds3

About 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile

2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile (PubChem CID 3379851) has the molecular formula C19H13BrClN3O and a molecular weight of 414.69 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
PubChem CID3379851
Molecular FormulaC19H13BrClN3O
Molecular Weight414.69 g/mol
Exact Mass412.99
IUPAC Name2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cc1Br
InChIInChI=1S/C19H13BrClN3O/c1-25-18-7-4-12(8-16(18)20)14-9-17(24-19(23)15(14)10-22)11-2-5-13(21)6-3-11/h2-9H,1H3,(H2,23,24)
InChIKeyXZFOTINRBKNWJA-UHFFFAOYSA-N
XLogP5.29
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.69
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3360582
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 5229295
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile (CID 3379851) is 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cc1Br.
What is the InChIKey of 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile?
The InChIKey is XZFOTINRBKNWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClN3O/c1-25-18-7-4-12(8-16(18)20)14-9-17(24-19(23)15(14)10-22)11-2-5-13(21)6-3-11/h2-9H,1H3,(H2,23,24).
What are the key properties of 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile?
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile has a molecular weight of 414.69 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3379851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).