4-chloro-N-(2-ethenylphenyl)pyridin-3-amine

C13H11ClN2 — CID 90368320

IUPAC4-chloro-N-(2-ethenylphenyl)pyridin-3-amine
SMILESC=Cc1ccccc1Nc1cnccc1Cl
InChIInChI=1S/C13H11ClN2/c1-2-10-5-3-4-6-12(10)16-13-9-15-8-7-11(13)14/h2-9,16H,1H2
InChIKeyNAFVCTPHVMIRAT-UHFFFAOYSA-N
MW230.70 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine

4-chloro-N-(2-ethenylphenyl)pyridin-3-amine (PubChem CID 90368320) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2-ethenylphenyl)pyridin-3-amine
PubChem CID90368320
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name4-chloro-N-(2-ethenylphenyl)pyridin-3-amine
SMILESC=Cc1ccccc1Nc1cnccc1Cl
InChIInChI=1S/C13H11ClN2/c1-2-10-5-3-4-6-12(10)16-13-9-15-8-7-11(13)14/h2-9,16H,1H2
InChIKeyNAFVCTPHVMIRAT-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine?
The IUPAC name of 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine (CID 90368320) is 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine is C=Cc1ccccc1Nc1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine?
The InChIKey is NAFVCTPHVMIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-2-10-5-3-4-6-12(10)16-13-9-15-8-7-11(13)14/h2-9,16H,1H2.
What are the key properties of 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine?
4-chloro-N-(2-ethenylphenyl)pyridin-3-amine has a molecular weight of 230.70 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethenylphenyl)pyridin-3-amine is sourced from PubChem (CID 90368320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).