6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride

C8H5ClF3NO2 — CID 133105714

IUPAC6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
SMILESCOc1c(C(=O)Cl)cc(C(F)F)nc1F
InChIInChI=1S/C8H5ClF3NO2/c1-15-5-3(6(9)14)2-4(7(10)11)13-8(5)12/h2,7H,1H3
InChIKeyUTVUDOXJUBMSKI-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.55
Rot. Bonds3

About 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride

6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride (PubChem CID 133105714) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
PubChem CID133105714
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
SMILESCOc1c(C(=O)Cl)cc(C(F)F)nc1F
InChIInChI=1S/C8H5ClF3NO2/c1-15-5-3(6(9)14)2-4(7(10)11)13-8(5)12/h2,7H,1H3
InChIKeyUTVUDOXJUBMSKI-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
CID 130087967
methyl 6-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676531
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonitrile
CID 118828015
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
CID 130080785
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105551

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride (CID 133105714) is 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride is COc1c(C(=O)Cl)cc(C(F)F)nc1F.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride?
The InChIKey is UTVUDOXJUBMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c1-15-5-3(6(9)14)2-4(7(10)11)13-8(5)12/h2,7H,1H3.
What are the key properties of 6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride?
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-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)-2-fluoro-3-methoxypyridine-4-carbonyl chloride is sourced from PubChem (CID 133105714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).