2-chloro-N-ethenyl-6-methylpyridin-3-amine

C8H9ClN2 — CID 91844885

IUPAC2-chloro-N-ethenyl-6-methylpyridin-3-amine
SMILESC=CNc1ccc(C)nc1Cl
InChIInChI=1S/C8H9ClN2/c1-3-10-7-5-4-6(2)11-8(7)9/h3-5,10H,1H2,2H3
InChIKeyDPPDIFVXILJGLS-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-N-ethenyl-6-methylpyridin-3-amine

2-chloro-N-ethenyl-6-methylpyridin-3-amine (PubChem CID 91844885) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2-chloro-N-ethenyl-6-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-ethenyl-6-methylpyridin-3-amine
PubChem CID91844885
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2-chloro-N-ethenyl-6-methylpyridin-3-amine
SMILESC=CNc1ccc(C)nc1Cl
InChIInChI=1S/C8H9ClN2/c1-3-10-7-5-4-6(2)11-8(7)9/h3-5,10H,1H2,2H3
InChIKeyDPPDIFVXILJGLS-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-ethenyl-6-methylpyridin-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 2-chloro-N-ethenyl-6-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-ethenyl-6-methylpyridin-3-amine (CID 91844885) is 2-chloro-N-ethenyl-6-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-ethenyl-6-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-ethenyl-6-methylpyridin-3-amine is C=CNc1ccc(C)nc1Cl.
What is the InChIKey of 2-chloro-N-ethenyl-6-methylpyridin-3-amine?
The InChIKey is DPPDIFVXILJGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-3-10-7-5-4-6(2)11-8(7)9/h3-5,10H,1H2,2H3.
What are the key properties of 2-chloro-N-ethenyl-6-methylpyridin-3-amine?
2-chloro-N-ethenyl-6-methylpyridin-3-amine has a molecular weight of 168.63 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethenyl-6-methylpyridin-3-amine is sourced from PubChem (CID 91844885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).