2-(4-chloroanilino)pyridine-3-carbonitrile

C12H8ClN3 — CID 852635

IUPAC2-(4-chloroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-7H,(H,15,16)
InChIKeyLNFJSWMOQSXQPS-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.35
Rot. Bonds2

About 2-(4-chloroanilino)pyridine-3-carbonitrile

2-(4-chloroanilino)pyridine-3-carbonitrile (PubChem CID 852635) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chloroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)pyridine-3-carbonitrile
PubChem CID852635
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name2-(4-chloroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-7H,(H,15,16)
InChIKeyLNFJSWMOQSXQPS-UHFFFAOYSA-N
XLogP3.35
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloroanilino)pyridine-3-carbonitrile (CID 852635) is 2-(4-chloroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloroanilino)pyridine-3-carbonitrile is N#Cc1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)pyridine-3-carbonitrile?
The InChIKey is LNFJSWMOQSXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-7H,(H,15,16).
What are the key properties of 2-(4-chloroanilino)pyridine-3-carbonitrile?
2-(4-chloroanilino)pyridine-3-carbonitrile has a molecular weight of 229.67 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 852635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).