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

C7H5ClF2N2O2 — CID 130104992

IUPAC2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
SMILESNc1[nH]c(=O)cc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-5(14)2-1-3(13)12-7(11)4(2)6(9)10/h1,6H,(H3,11,12,13)
InChIKeyRZRVPVWVJQGBAU-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.27
Rot. Bonds2

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

2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride (PubChem CID 130104992) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
PubChem CID130104992
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
SMILESNc1[nH]c(=O)cc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-5(14)2-1-3(13)12-7(11)4(2)6(9)10/h1,6H,(H3,11,12,13)
InChIKeyRZRVPVWVJQGBAU-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

6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride
CID 130105040
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride
CID 130105658
methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 130100284
2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 119022040
5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 130072819
2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118837824
6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 118821921
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride?
The IUPAC name of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride (CID 130104992) is 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride.
What is the SMILES notation for 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride?
The canonical SMILES for 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride is Nc1[nH]c(=O)cc(C(=O)Cl)c1C(F)F.
What is the InChIKey of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride?
The InChIKey is RZRVPVWVJQGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-5(14)2-1-3(13)12-7(11)4(2)6(9)10/h1,6H,(H3,11,12,13).
What are the key properties of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride?
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-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 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride is sourced from PubChem (CID 130104992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).