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

C8H5Cl2F2NO — CID 118816832

IUPAC4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
SMILESCc1cc(Cl)c(C(=O)Cl)c(C(F)F)n1
InChIInChI=1S/C8H5Cl2F2NO/c1-3-2-4(9)5(7(10)14)6(13-3)8(11)12/h2,8H,1H3
InChIKeyXNUAJVMXCQKEAX-UHFFFAOYSA-N
MW240.04 g/mol
LogP3.36
Rot. Bonds2

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

4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride (PubChem CID 118816832) has the molecular formula C8H5Cl2F2NO and a molecular weight of 240.04 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
PubChem CID118816832
Molecular FormulaC8H5Cl2F2NO
Molecular Weight240.04 g/mol
Exact Mass238.97
IUPAC Name4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
SMILESCc1cc(Cl)c(C(=O)Cl)c(C(F)F)n1
InChIInChI=1S/C8H5Cl2F2NO/c1-3-2-4(9)5(7(10)14)6(13-3)8(11)12/h2,8H,1H3
InChIKeyXNUAJVMXCQKEAX-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

3-chloro-2-(difluoromethyl)-6-methylpyridine-4-carbonyl chloride
CID 130074502
4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 130074517
2-(difluoromethyl)-3-iodo-6-methylpyridine-4-carbonyl chloride
CID 118843473
2-(difluoromethyl)-4,6-dimethylpyridine-3-carboxamide
CID 130101522
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477
4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130099468
2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
3-chloro-2-(difluoromethyl)-6-methylpyridine
CID 130095432
5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108417
2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid
CID 118996276
2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
CID 118837882

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride (CID 118816832) is 4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride is Cc1cc(Cl)c(C(=O)Cl)c(C(F)F)n1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride?
The InChIKey is XNUAJVMXCQKEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO/c1-3-2-4(9)5(7(10)14)6(13-3)8(11)12/h2,8H,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride?
4-chloro-2-(difluoromethyl)-6-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-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 118816832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).