6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride

C8H5ClF3NO2 — CID 133105710

IUPAC6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride
SMILESCOc1cc(F)c(C(=O)Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF3NO2/c1-15-4-2-3(10)5(7(9)14)13-6(4)8(11)12/h2,8H,1H3
InChIKeyNJPMJAYYFSSDQW-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.55
Rot. Bonds3

About 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride

6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride (PubChem CID 133105710) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride
PubChem CID133105710
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride
SMILESCOc1cc(F)c(C(=O)Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF3NO2/c1-15-4-2-3(10)5(7(9)14)13-6(4)8(11)12/h2,8H,1H3
InChIKeyNJPMJAYYFSSDQW-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.55
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

5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
6-(difluoromethyl)-5-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 118820960
2-[2-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119021742
6-bromo-5-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134675810
5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
CID 133099566
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 134670863
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048
2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109869
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
CID 130080291

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride (CID 133105710) is 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride is COc1cc(F)c(C(=O)Cl)nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride?
The InChIKey is NJPMJAYYFSSDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c1-15-4-2-3(10)5(7(9)14)13-6(4)8(11)12/h2,8H,1H3.
What are the key properties of 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride?
6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride has a molecular weight of 239.58 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 133105710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).