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

C9H8ClF2NO2 — CID 118832244

IUPAC2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
SMILESCOc1cnc(C(F)F)c(C(=O)Cl)c1C
InChIInChI=1S/C9H8ClF2NO2/c1-4-5(15-2)3-13-7(9(11)12)6(4)8(10)14/h3,9H,1-2H3
InChIKeyWYUDQTGTVHQFAD-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.72
Rot. Bonds3

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

2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride (PubChem CID 118832244) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
PubChem CID118832244
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
SMILESCOc1cnc(C(F)F)c(C(=O)Cl)c1C
InChIInChI=1S/C9H8ClF2NO2/c1-4-5(15-2)3-13-7(9(11)12)6(4)8(10)14/h3,9H,1-2H3
InChIKeyWYUDQTGTVHQFAD-UHFFFAOYSA-N
XLogP2.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-carboxamide
CID 118809416
2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
CID 130100978
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
2-(difluoromethyl)-4-fluoro-5-methylpyridine-3-carbonyl chloride
CID 118837882
3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
CID 133105178
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
CID 134674417
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
2-(difluoromethyl)-4-fluoro-5-methoxy-3-methylpyridine
CID 130080514
2-(difluoromethyl)-3,5-dimethoxypyridine-4-carboxamide
CID 118837482
4,5-dichloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130099468
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride (CID 118832244) is 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride is COc1cnc(C(F)F)c(C(=O)Cl)c1C.
What is the InChIKey of 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride?
The InChIKey is WYUDQTGTVHQFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-4-5(15-2)3-13-7(9(11)12)6(4)8(10)14/h3,9H,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride?
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride has a molecular weight of 235.62 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 118832244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).