3-chloro-4-(2-pyridin-2-ylethenyl)aniline

C13H11ClN2 — CID 11837545

IUPAC3-chloro-4-(2-pyridin-2-ylethenyl)aniline
SMILESNc1ccc(C=Cc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H11ClN2/c14-13-9-11(15)6-4-10(13)5-7-12-3-1-2-8-16-12/h1-9H,15H2
InChIKeyJRPNMJGBCCLSTH-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.49
Rot. Bonds2

About 3-chloro-4-(2-pyridin-2-ylethenyl)aniline

3-chloro-4-(2-pyridin-2-ylethenyl)aniline (PubChem CID 11837545) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-chloro-4-(2-pyridin-2-ylethenyl)aniline.

Molecular Properties

Compound Name3-chloro-4-(2-pyridin-2-ylethenyl)aniline
PubChem CID11837545
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name3-chloro-4-(2-pyridin-2-ylethenyl)aniline
SMILESNc1ccc(C=Cc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H11ClN2/c14-13-9-11(15)6-4-10(13)5-7-12-3-1-2-8-16-12/h1-9H,15H2
InChIKeyJRPNMJGBCCLSTH-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-chloro-4-(2-pyridin-2-ylethenyl)aniline 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 3-chloro-4-(2-pyridin-2-ylethenyl)aniline?
The IUPAC name of 3-chloro-4-(2-pyridin-2-ylethenyl)aniline (CID 11837545) is 3-chloro-4-(2-pyridin-2-ylethenyl)aniline.
What is the SMILES notation for 3-chloro-4-(2-pyridin-2-ylethenyl)aniline?
The canonical SMILES for 3-chloro-4-(2-pyridin-2-ylethenyl)aniline is Nc1ccc(C=Cc2ccccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-pyridin-2-ylethenyl)aniline?
The InChIKey is JRPNMJGBCCLSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-13-9-11(15)6-4-10(13)5-7-12-3-1-2-8-16-12/h1-9H,15H2.
What are the key properties of 3-chloro-4-(2-pyridin-2-ylethenyl)aniline?
3-chloro-4-(2-pyridin-2-ylethenyl)aniline has a molecular weight of 230.70 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-pyridin-2-ylethenyl)aniline is sourced from PubChem (CID 11837545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).