4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride

C8H6ClF2NO3 — CID 133103271

IUPAC4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESCOc1c(C(F)F)cc(=O)[nH]c1C(=O)Cl
InChIInChI=1S/C8H6ClF2NO3/c1-15-6-3(8(10)11)2-4(13)12-5(6)7(9)14/h2,8H,1H3,(H,12,13)
InChIKeyRRPDDJIRADYLQQ-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.70
Rot. Bonds3

About 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride

4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 133103271) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID133103271
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESCOc1c(C(F)F)cc(=O)[nH]c1C(=O)Cl
InChIInChI=1S/C8H6ClF2NO3/c1-15-6-3(8(10)11)2-4(13)12-5(6)7(9)14/h2,8H,1H3,(H,12,13)
InChIKeyRRPDDJIRADYLQQ-UHFFFAOYSA-N
XLogP1.70
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
CID 118812764
4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 118835212
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
methyl 3-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 130084964
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721
1-[5-bromo-3-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131568665
5-(difluoromethyl)-2-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105200
5-(difluoromethyl)-3-fluoro-4-methoxypyridine-2-carbonyl chloride
CID 133105414
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
methyl 2-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130084940

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride (CID 133103271) is 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride is COc1c(C(F)F)cc(=O)[nH]c1C(=O)Cl.
What is the InChIKey of 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is RRPDDJIRADYLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c1-15-6-3(8(10)11)2-4(13)12-5(6)7(9)14/h2,8H,1H3,(H,12,13).
What are the key properties of 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride?
4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride has a molecular weight of 237.59 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 133103271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).