5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride

C9H8ClF2NO2 — CID 133099566

IUPAC5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
SMILESCOc1cc(C(F)F)c(C)nc1C(=O)Cl
InChIInChI=1S/C9H8ClF2NO2/c1-4-5(9(11)12)3-6(15-2)7(13-4)8(10)14/h3,9H,1-2H3
InChIKeyYQJLXEWIXJRUDG-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.72
Rot. Bonds3

About 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride

5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride (PubChem CID 133099566) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
PubChem CID133099566
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
SMILESCOc1cc(C(F)F)c(C)nc1C(=O)Cl
InChIInChI=1S/C9H8ClF2NO2/c1-4-5(9(11)12)3-6(15-2)7(13-4)8(10)14/h3,9H,1-2H3
InChIKeyYQJLXEWIXJRUDG-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

6-bromo-5-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134675810
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 134670863
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118835181
3-(difluoromethyl)-5-methoxy-6-methylpyridine-2-carboxamide
CID 133098966
[5-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanol
CID 130087918
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride
CID 133105710
methyl 3-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090578
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
CID 130086388
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 119005525

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride (CID 133099566) is 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride is COc1cc(C(F)F)c(C)nc1C(=O)Cl.
What is the InChIKey of 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride?
The InChIKey is YQJLXEWIXJRUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-4-5(9(11)12)3-6(15-2)7(13-4)8(10)14/h3,9H,1-2H3.
What are the key properties of 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride?
5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-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 5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 133099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).