2-chloro-5-methyl-3,4-dihydropyridine

C6H8ClN — CID 70335778

IUPAC2-chloro-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=C(Cl)CC1
InChIInChI=1S/C6H8ClN/c1-5-2-3-6(7)8-4-5/h4H,2-3H2,1H3
InChIKeyFJEXVTAILWJNGH-UHFFFAOYSA-N
MW129.59 g/mol
LogP2.32
Rot. Bonds

About 2-chloro-5-methyl-3,4-dihydropyridine

2-chloro-5-methyl-3,4-dihydropyridine (PubChem CID 70335778) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 2-chloro-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-3,4-dihydropyridine
PubChem CID70335778
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name2-chloro-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=C(Cl)CC1
InChIInChI=1S/C6H8ClN/c1-5-2-3-6(7)8-4-5/h4H,2-3H2,1H3
InChIKeyFJEXVTAILWJNGH-UHFFFAOYSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-5-methyl-3,4-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 2-chloro-5-methyl-3,4-dihydropyridine?
The IUPAC name of 2-chloro-5-methyl-3,4-dihydropyridine (CID 70335778) is 2-chloro-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-chloro-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-chloro-5-methyl-3,4-dihydropyridine is CC1=CN=C(Cl)CC1.
What is the InChIKey of 2-chloro-5-methyl-3,4-dihydropyridine?
The InChIKey is FJEXVTAILWJNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5-2-3-6(7)8-4-5/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-5-methyl-3,4-dihydropyridine?
2-chloro-5-methyl-3,4-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 70335778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).