4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride

C7H3Cl2F2NO2 — CID 118805480

IUPAC4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(=O)c(C(F)F)c1Cl
InChIInChI=1S/C7H3Cl2F2NO2/c8-4-2(5(9)13)1-12-7(14)3(4)6(10)11/h1,6H,(H,12,14)
InChIKeyBHHKNVCYHVWOCB-UHFFFAOYSA-N
MW242.01 g/mol
LogP2.34
Rot. Bonds2

About 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride

4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118805480) has the molecular formula C7H3Cl2F2NO2 and a molecular weight of 242.01 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118805480
Molecular FormulaC7H3Cl2F2NO2
Molecular Weight242.01 g/mol
Exact Mass240.95
IUPAC Name4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(=O)c(C(F)F)c1Cl
InChIInChI=1S/C7H3Cl2F2NO2/c8-4-2(5(9)13)1-12-7(14)3(4)6(10)11/h1,6H,(H,12,14)
InChIKeyBHHKNVCYHVWOCB-UHFFFAOYSA-N
XLogP2.34
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.01
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride (CID 118805480) is 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c[nH]c(=O)c(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is BHHKNVCYHVWOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO2/c8-4-2(5(9)13)1-12-7(14)3(4)6(10)11/h1,6H,(H,12,14).
What are the key properties of 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride?
4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 242.01 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118805480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).