2-chloro-5-methylpyridine

C6H6ClN — CID 581393

IUPAC2-chloro-5-methylpyridine
SMILESCc1ccc(Cl)nc1
InChIInChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKeyVXLYOURCUVQYLN-UHFFFAOYSA-N
MW127.57 g/mol
LogP2.04
Rot. Bonds

About 2-chloro-5-methylpyridine

2-chloro-5-methylpyridine (PubChem CID 581393) has the molecular formula C6H6ClN and a molecular weight of 127.57 g/mol. Its IUPAC name is 2-chloro-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-5-methylpyridine
PubChem CID581393
Molecular FormulaC6H6ClN
Molecular Weight127.57 g/mol
Exact Mass127.02
IUPAC Name2-chloro-5-methylpyridine
SMILESCc1ccc(Cl)nc1
InChIInChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKeyVXLYOURCUVQYLN-UHFFFAOYSA-N
XLogP2.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.57
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methylpyridine 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-methylpyridine?
The IUPAC name of 2-chloro-5-methylpyridine (CID 581393) is 2-chloro-5-methylpyridine.
What is the SMILES notation for 2-chloro-5-methylpyridine?
The canonical SMILES for 2-chloro-5-methylpyridine is Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-methylpyridine?
The InChIKey is VXLYOURCUVQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3.
What are the key properties of 2-chloro-5-methylpyridine?
2-chloro-5-methylpyridine has a molecular weight of 127.57 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyridine is sourced from PubChem (CID 581393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).