2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile

C19H13ClN4O2 — CID 5230675

IUPAC2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(-c2cc([N+](=O)[O-])ccc2Cl)c(C#N)c(N)n1
InChIInChI=1S/C19H13ClN4O2/c1-11-4-2-3-5-13(11)18-9-14(16(10-21)19(22)23-18)15-8-12(24(25)26)6-7-17(15)20/h2-9H,1H3,(H2,22,23)
InChIKeyOVHWLZLINQPEDZ-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.74
Rot. Bonds3

About 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile

2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile (PubChem CID 5230675) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
PubChem CID5230675
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(-c2cc([N+](=O)[O-])ccc2Cl)c(C#N)c(N)n1
InChIInChI=1S/C19H13ClN4O2/c1-11-4-2-3-5-13(11)18-9-14(16(10-21)19(22)23-18)15-8-12(24(25)26)6-7-17(15)20/h2-9H,1H3,(H2,22,23)
InChIKeyOVHWLZLINQPEDZ-UHFFFAOYSA-N
XLogP4.74
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
CID 5119563
2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
CID 5117890
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-4-(2,4-dichlorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230671
2-amino-6-(2,4-dichlorophenyl)-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3389205
2-amino-4-(4-chloro-3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230669
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5230351
2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659440
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile (CID 5230675) is 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile is Cc1ccccc1-c1cc(-c2cc([N+](=O)[O-])ccc2Cl)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is OVHWLZLINQPEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c1-11-4-2-3-5-13(11)18-9-14(16(10-21)19(22)23-18)15-8-12(24(25)26)6-7-17(15)20/h2-9H,1H3,(H2,22,23).
What are the key properties of 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 364.79 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5230675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).