2-chloro-6-methylpyridine-3-carbonyl chloride

C7H5Cl2NO — CID 21273637

IUPAC2-chloro-6-methylpyridine-3-carbonyl chloride
SMILESCc1ccc(C(=O)Cl)c(Cl)n1
InChIInChI=1S/C7H5Cl2NO/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3
InChIKeyZDWXDEDBIUIQMY-UHFFFAOYSA-N
MW190.03 g/mol
LogP2.42
Rot. Bonds1

About 2-chloro-6-methylpyridine-3-carbonyl chloride

2-chloro-6-methylpyridine-3-carbonyl chloride (PubChem CID 21273637) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 2-chloro-6-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-chloro-6-methylpyridine-3-carbonyl chloride
PubChem CID21273637
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name2-chloro-6-methylpyridine-3-carbonyl chloride
SMILESCc1ccc(C(=O)Cl)c(Cl)n1
InChIInChI=1S/C7H5Cl2NO/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3
InChIKeyZDWXDEDBIUIQMY-UHFFFAOYSA-N
XLogP2.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylpyridine-3-carbonyl chloride?
The IUPAC name of 2-chloro-6-methylpyridine-3-carbonyl chloride (CID 21273637) is 2-chloro-6-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 2-chloro-6-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 2-chloro-6-methylpyridine-3-carbonyl chloride is Cc1ccc(C(=O)Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methylpyridine-3-carbonyl chloride?
The InChIKey is ZDWXDEDBIUIQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3.
What are the key properties of 2-chloro-6-methylpyridine-3-carbonyl chloride?
2-chloro-6-methylpyridine-3-carbonyl chloride has a molecular weight of 190.03 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 21273637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).