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

C7H5ClF2N2O2 — CID 118829139

IUPAC4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESNc1cc(C(F)F)[nH]c(=O)c1C(=O)Cl
InChIInChI=1S/C7H5ClF2N2O2/c8-5(13)4-2(11)1-3(6(9)10)12-7(4)14/h1,6H,(H3,11,12,14)
InChIKeyVQNVUYCUAQPDJK-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.27
Rot. Bonds2

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

4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118829139) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118829139
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESNc1cc(C(F)F)[nH]c(=O)c1C(=O)Cl
InChIInChI=1S/C7H5ClF2N2O2/c8-5(13)4-2(11)1-3(6(9)10)12-7(4)14/h1,6H,(H3,11,12,14)
InChIKeyVQNVUYCUAQPDJK-UHFFFAOYSA-N
XLogP1.27
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118823010
4-amino-6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 118812209
ethyl 3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 134674785
methyl 4-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130085314
2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 119005211
6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 133102742
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299
4-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118810925
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130104925

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride (CID 118829139) is 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride is Nc1cc(C(F)F)[nH]c(=O)c1C(=O)Cl.
What is the InChIKey of 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is VQNVUYCUAQPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-5(13)4-2(11)1-3(6(9)10)12-7(4)14/h1,6H,(H3,11,12,14).
What are the key properties of 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 222.58 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118829139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).