4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride

C8H5Cl2F2NO — CID 130074517

IUPAC4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
SMILESCc1nc(C(F)F)cc(Cl)c1C(=O)Cl
InChIInChI=1S/C8H5Cl2F2NO/c1-3-6(7(10)14)4(9)2-5(13-3)8(11)12/h2,8H,1H3
InChIKeyIBQMJXULNJJMNA-UHFFFAOYSA-N
MW240.04 g/mol
LogP3.36
Rot. Bonds2

About 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride

4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride (PubChem CID 130074517) has the molecular formula C8H5Cl2F2NO and a molecular weight of 240.04 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
PubChem CID130074517
Molecular FormulaC8H5Cl2F2NO
Molecular Weight240.04 g/mol
Exact Mass238.97
IUPAC Name4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
SMILESCc1nc(C(F)F)cc(Cl)c1C(=O)Cl
InChIInChI=1S/C8H5Cl2F2NO/c1-3-6(7(10)14)4(9)2-5(13-3)8(11)12/h2,8H,1H3
InChIKeyIBQMJXULNJJMNA-UHFFFAOYSA-N
XLogP3.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 118816832
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069543
methyl 4-bromo-6-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 130069478
2-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118832704
methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071382
6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride
CID 130096534
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130069571
2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
4-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118810925
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074368

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride?
The IUPAC name of 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride (CID 130074517) is 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride is Cc1nc(C(F)F)cc(Cl)c1C(=O)Cl.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride?
The InChIKey is IBQMJXULNJJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO/c1-3-6(7(10)14)4(9)2-5(13-3)8(11)12/h2,8H,1H3.
What are the key properties of 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride?
4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride has a molecular weight of 240.04 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 130074517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).