4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride

C9H8ClF2NO2 — CID 133099697

IUPAC4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
SMILESCOc1ncc(C(=O)Cl)c(C(F)F)c1C
InChIInChI=1S/C9H8ClF2NO2/c1-4-6(8(11)12)5(7(10)14)3-13-9(4)15-2/h3,8H,1-2H3
InChIKeyANHGOXFNCDNCSW-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.72
Rot. Bonds3

About 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride

4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride (PubChem CID 133099697) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
PubChem CID133099697
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
SMILESCOc1ncc(C(=O)Cl)c(C(F)F)c1C
InChIInChI=1S/C9H8ClF2NO2/c1-4-6(8(11)12)5(7(10)14)3-13-9(4)15-2/h3,8H,1-2H3
InChIKeyANHGOXFNCDNCSW-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

4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
4-(difluoromethyl)-5-iodo-6-methoxypyridine-3-carboxamide
CID 118846499
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
ethyl 5-chloro-3-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134674440
ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133098576
5-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662816
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride (CID 133099697) is 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride is COc1ncc(C(=O)Cl)c(C(F)F)c1C.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride?
The InChIKey is ANHGOXFNCDNCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-4-6(8(11)12)5(7(10)14)3-13-9(4)15-2/h3,8H,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride?
4-(difluoromethyl)-6-methoxy-5-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 4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 133099697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).