2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile

C19H12Cl2N4 — CID 10861499

IUPAC2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(Cl)nc(-c2ccccc2)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N4/c1-12-16(11-22)19(21)23-18(13-5-3-2-4-6-13)17(12)25-24-15-9-7-14(20)8-10-15/h2-10H,1H3/b25-24+
InChIKeyUMJGIPBBCFGHPV-OCOZRVBESA-N
MW367.24 g/mol
LogP6.65
Rot. Bonds3

About 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile

2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile (PubChem CID 10861499) has the molecular formula C19H12Cl2N4 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile
PubChem CID10861499
Molecular FormulaC19H12Cl2N4
Molecular Weight367.24 g/mol
Exact Mass366.04
IUPAC Name2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(Cl)nc(-c2ccccc2)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N4/c1-12-16(11-22)19(21)23-18(13-5-3-2-4-6-13)17(12)25-24-15-9-7-14(20)8-10-15/h2-10H,1H3/b25-24+
InChIKeyUMJGIPBBCFGHPV-OCOZRVBESA-N
XLogP6.65
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[5-[(4-chlorophenyl)diazenyl]-3-cyano-4-methyl-6-phenyl-2-pyridinyl] 4-chlorobenzoate
CID 138858399
5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
(3-cyano-4,6-dimethyl-5-phenyldiazenyl-2-pyridinyl) 4-chlorobenzoate
CID 138858303
7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 136697158
5-[(4-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 135835864
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276
2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94280813
5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
CID 13492990
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile
CID 135835287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile (CID 10861499) is 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile is Cc1c(C#N)c(Cl)nc(-c2ccccc2)c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile?
The InChIKey is UMJGIPBBCFGHPV-OCOZRVBESA-N. The full InChI is InChI=1S/C19H12Cl2N4/c1-12-16(11-22)19(21)23-18(13-5-3-2-4-6-13)17(12)25-24-15-9-7-14(20)8-10-15/h2-10H,1H3/b25-24+.
What are the key properties of 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile?
2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile has a molecular weight of 367.24 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 10861499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).