2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile

C18H11ClN4O2 — CID 5258576

IUPAC2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccc([N+](=O)[O-])cc2)nc1N
InChIInChI=1S/C18H11ClN4O2/c19-16-4-2-1-3-13(16)14-9-17(22-18(21)15(14)10-20)11-5-7-12(8-6-11)23(24)25/h1-9H,(H2,21,22)
InChIKeyZZGKERJWYCWEFS-UHFFFAOYSA-N
MW350.77 g/mol
LogP4.43
Rot. Bonds3

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

2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 5258576) has the molecular formula C18H11ClN4O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
PubChem CID5258576
Molecular FormulaC18H11ClN4O2
Molecular Weight350.77 g/mol
Exact Mass350.06
IUPAC Name2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccc([N+](=O)[O-])cc2)nc1N
InChIInChI=1S/C18H11ClN4O2/c19-16-4-2-1-3-13(16)14-9-17(22-18(21)15(14)10-20)11-5-7-12(8-6-11)23(24)25/h1-9H,(H2,21,22)
InChIKeyZZGKERJWYCWEFS-UHFFFAOYSA-N
XLogP4.43
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile (CID 5258576) is 2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2Cl)cc(-c2ccc([N+](=O)[O-])cc2)nc1N.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is ZZGKERJWYCWEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2/c19-16-4-2-1-3-13(16)14-9-17(22-18(21)15(14)10-20)11-5-7-12(8-6-11)23(24)25/h1-9H,(H2,21,22).
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile?
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 350.77 g/mol, XLogP of 4.43, 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-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5258576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).