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

C8H6ClF2NO3 — CID 118832263

IUPAC2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESCOc1cc(=O)c(C(=O)Cl)c(C(F)F)[nH]1
InChIInChI=1S/C8H6ClF2NO3/c1-15-4-2-3(13)5(7(9)14)6(12-4)8(10)11/h2,8H,1H3,(H,12,13)
InChIKeyNQYMUBNRFXERLK-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.70
Rot. Bonds3

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

2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118832263) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118832263
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESCOc1cc(=O)c(C(=O)Cl)c(C(F)F)[nH]1
InChIInChI=1S/C8H6ClF2NO3/c1-15-4-2-3(13)5(7(9)14)6(12-4)8(10)11/h2,8H,1H3,(H,12,13)
InChIKeyNQYMUBNRFXERLK-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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride (CID 118832263) is 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride is COc1cc(=O)c(C(=O)Cl)c(C(F)F)[nH]1.
What is the InChIKey of 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is NQYMUBNRFXERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c1-15-4-2-3(13)5(7(9)14)6(12-4)8(10)11/h2,8H,1H3,(H,12,13).
What are the key properties of 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride?
2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-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 2-(difluoromethyl)-6-methoxy-4-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118832263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).