3-chloro-2,4-dimethylpyridine

C7H8ClN — CID 12508368

IUPAC3-chloro-2,4-dimethylpyridine
SMILESCc1ccnc(C)c1Cl
InChIInChI=1S/C7H8ClN/c1-5-3-4-9-6(2)7(5)8/h3-4H,1-2H3
InChIKeyGISAIZLTIKTIFG-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.35
Rot. Bonds

About 3-chloro-2,4-dimethylpyridine

3-chloro-2,4-dimethylpyridine (PubChem CID 12508368) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 3-chloro-2,4-dimethylpyridine.

Molecular Properties

Compound Name3-chloro-2,4-dimethylpyridine
PubChem CID12508368
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name3-chloro-2,4-dimethylpyridine
SMILESCc1ccnc(C)c1Cl
InChIInChI=1S/C7H8ClN/c1-5-3-4-9-6(2)7(5)8/h3-4H,1-2H3
InChIKeyGISAIZLTIKTIFG-UHFFFAOYSA-N
XLogP2.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dimethylpyridine?
The IUPAC name of 3-chloro-2,4-dimethylpyridine (CID 12508368) is 3-chloro-2,4-dimethylpyridine.
What is the SMILES notation for 3-chloro-2,4-dimethylpyridine?
The canonical SMILES for 3-chloro-2,4-dimethylpyridine is Cc1ccnc(C)c1Cl.
What is the InChIKey of 3-chloro-2,4-dimethylpyridine?
The InChIKey is GISAIZLTIKTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-5-3-4-9-6(2)7(5)8/h3-4H,1-2H3.
What are the key properties of 3-chloro-2,4-dimethylpyridine?
3-chloro-2,4-dimethylpyridine has a molecular weight of 141.60 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dimethylpyridine is sourced from PubChem (CID 12508368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).