2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile

C18H12ClN3 — CID 916396

IUPAC2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1N
InChIInChI=1S/C18H12ClN3/c19-16-9-5-4-8-13(16)14-10-17(12-6-2-1-3-7-12)22-18(21)15(14)11-20/h1-10H,(H2,21,22)
InChIKeyDOTFDSKMEYTLRC-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.52
Rot. Bonds2

About 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile

2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 916396) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID916396
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1N
InChIInChI=1S/C18H12ClN3/c19-16-9-5-4-8-13(16)14-10-17(12-6-2-1-3-7-12)22-18(21)15(14)11-20/h1-10H,(H2,21,22)
InChIKeyDOTFDSKMEYTLRC-UHFFFAOYSA-N
XLogP4.52
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile (CID 916396) is 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1N.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is DOTFDSKMEYTLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-16-9-5-4-8-13(16)14-10-17(12-6-2-1-3-7-12)22-18(21)15(14)11-20/h1-10H,(H2,21,22).
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile?
2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 305.77 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 916396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).