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

C8H6ClF2NO3 — CID 118801307

IUPAC4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESCOc1cc(C(F)F)c(C(=O)Cl)c(=O)[nH]1
InChIInChI=1S/C8H6ClF2NO3/c1-15-4-2-3(7(10)11)5(6(9)13)8(14)12-4/h2,7H,1H3,(H,12,14)
InChIKeyXQRHQKCBMFCIOL-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.70
Rot. Bonds3

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

4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118801307) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118801307
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESCOc1cc(C(F)F)c(C(=O)Cl)c(=O)[nH]1
InChIInChI=1S/C8H6ClF2NO3/c1-15-4-2-3(7(10)11)5(6(9)13)8(14)12-4/h2,7H,1H3,(H,12,14)
InChIKeyXQRHQKCBMFCIOL-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 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride (CID 118801307) is 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride is COc1cc(C(F)F)c(C(=O)Cl)c(=O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is XQRHQKCBMFCIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c1-15-4-2-3(7(10)11)5(6(9)13)8(14)12-4/h2,7H,1H3,(H,12,14).
What are the key properties of 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride?
4-(difluoromethyl)-6-methoxy-2-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 4-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118801307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).