3-chloro-2-methylpyridine

C6H6ClN — CID 2762797

IUPAC3-chloro-2-methylpyridine
SMILESCc1ncccc1Cl
InChIInChI=1S/C6H6ClN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3
InChIKeyYSEYOMUPVMGJPP-UHFFFAOYSA-N
MW127.57 g/mol
LogP2.04
Rot. Bonds

About 3-chloro-2-methylpyridine

3-chloro-2-methylpyridine (PubChem CID 2762797) has the molecular formula C6H6ClN and a molecular weight of 127.57 g/mol. Its IUPAC name is 3-chloro-2-methylpyridine.

Molecular Properties

Compound Name3-chloro-2-methylpyridine
PubChem CID2762797
Molecular FormulaC6H6ClN
Molecular Weight127.57 g/mol
Exact Mass127.02
IUPAC Name3-chloro-2-methylpyridine
SMILESCc1ncccc1Cl
InChIInChI=1S/C6H6ClN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3
InChIKeyYSEYOMUPVMGJPP-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylpyridine?
The IUPAC name of 3-chloro-2-methylpyridine (CID 2762797) is 3-chloro-2-methylpyridine.
What is the SMILES notation for 3-chloro-2-methylpyridine?
The canonical SMILES for 3-chloro-2-methylpyridine is Cc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-methylpyridine?
The InChIKey is YSEYOMUPVMGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3.
What are the key properties of 3-chloro-2-methylpyridine?
3-chloro-2-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 3-chloro-2-methylpyridine is sourced from PubChem (CID 2762797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).