2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride

C8H5ClF3NO — CID 118837882

IUPAC2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
SMILESCc1cnc(C(F)F)c(C(=O)Cl)c1F
InChIInChI=1S/C8H5ClF3NO/c1-3-2-13-6(8(11)12)4(5(3)10)7(9)14/h2,8H,1H3
InChIKeyOJPZLYHHZSMJCC-UHFFFAOYSA-N
MW223.58 g/mol
LogP2.85
Rot. Bonds2

About 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride

2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride (PubChem CID 118837882) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
PubChem CID118837882
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC Name2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
SMILESCc1cnc(C(F)F)c(C(=O)Cl)c1F
InChIInChI=1S/C8H5ClF3NO/c1-3-2-13-6(8(11)12)4(5(3)10)7(9)14/h2,8H,1H3
InChIKeyOJPZLYHHZSMJCC-UHFFFAOYSA-N
XLogP2.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 52.85
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

2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
CID 118832244
4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130099468
4-bromo-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 130110583
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
CID 130069525
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105551
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
5-cyano-2-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134664575
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
5-(difluoromethyl)-4-fluoro-3-methylpyridine-2-carbonyl chloride
CID 130081258
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride (CID 118837882) is 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride is Cc1cnc(C(F)F)c(C(=O)Cl)c1F.
What is the InChIKey of 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride?
The InChIKey is OJPZLYHHZSMJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c1-3-2-13-6(8(11)12)4(5(3)10)7(9)14/h2,8H,1H3.
What are the key properties of 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride?
2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride has a molecular weight of 223.58 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 118837882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).