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

C8H5Cl2F2NO — CID 130074499

IUPAC5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C(=O)Cl)nc(C(F)F)c1Cl
InChIInChI=1S/C8H5Cl2F2NO/c1-3-2-4(7(10)14)13-6(5(3)9)8(11)12/h2,8H,1H3
InChIKeyNRBLQWRQNFKMIV-UHFFFAOYSA-N
MW240.04 g/mol
LogP3.36
Rot. Bonds2

About 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride

5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (PubChem CID 130074499) has the molecular formula C8H5Cl2F2NO and a molecular weight of 240.04 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
PubChem CID130074499
Molecular FormulaC8H5Cl2F2NO
Molecular Weight240.04 g/mol
Exact Mass238.97
IUPAC Name5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C(=O)Cl)nc(C(F)F)c1Cl
InChIInChI=1S/C8H5Cl2F2NO/c1-3-2-4(7(10)14)13-6(5(3)9)8(11)12/h2,8H,1H3
InChIKeyNRBLQWRQNFKMIV-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
5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108417
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130106642
4-cyano-6-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 134685969
6-(difluoromethyl)-4,5-diiodopyridine-2-carbonyl chloride
CID 118815357
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride
CID 118833974
4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130108285
4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 118816832
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The IUPAC name of 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (CID 130074499) is 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is Cc1cc(C(=O)Cl)nc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The InChIKey is NRBLQWRQNFKMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO/c1-3-2-4(7(10)14)13-6(5(3)9)8(11)12/h2,8H,1H3.
What are the key properties of 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-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 5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 130074499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).