3-chloro-1,2-dihydropyridine

C5H6ClN — CID 19045909

IUPAC3-chloro-1,2-dihydropyridine
SMILESClC1=CC=CNC1
InChIInChI=1S/C5H6ClN/c6-5-2-1-3-7-4-5/h1-3,7H,4H2
InChIKeyUHOFZUFSZUSFOI-UHFFFAOYSA-N
MW115.56 g/mol
LogP1.23
Rot. Bonds

About 3-chloro-1,2-dihydropyridine

3-chloro-1,2-dihydropyridine (PubChem CID 19045909) has the molecular formula C5H6ClN and a molecular weight of 115.56 g/mol. Its IUPAC name is 3-chloro-1,2-dihydropyridine.

Molecular Properties

Compound Name3-chloro-1,2-dihydropyridine
PubChem CID19045909
Molecular FormulaC5H6ClN
Molecular Weight115.56 g/mol
Exact Mass115.02
IUPAC Name3-chloro-1,2-dihydropyridine
SMILESClC1=CC=CNC1
InChIInChI=1S/C5H6ClN/c6-5-2-1-3-7-4-5/h1-3,7H,4H2
InChIKeyUHOFZUFSZUSFOI-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.56
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-1,2-dihydropyridine 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-1,2-dihydropyridine?
The IUPAC name of 3-chloro-1,2-dihydropyridine (CID 19045909) is 3-chloro-1,2-dihydropyridine.
What is the SMILES notation for 3-chloro-1,2-dihydropyridine?
The canonical SMILES for 3-chloro-1,2-dihydropyridine is ClC1=CC=CNC1.
What is the InChIKey of 3-chloro-1,2-dihydropyridine?
The InChIKey is UHOFZUFSZUSFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN/c6-5-2-1-3-7-4-5/h1-3,7H,4H2.
What are the key properties of 3-chloro-1,2-dihydropyridine?
3-chloro-1,2-dihydropyridine has a molecular weight of 115.56 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2-dihydropyridine is sourced from PubChem (CID 19045909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).