4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride

C7H5ClF2N2O2 — CID 118834586

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

About 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride

4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 118834586) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID118834586
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESNc1cc(C(=O)Cl)[nH]c(=O)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-5(13)3-1-2(11)4(6(9)10)7(14)12-3/h1,6H,(H3,11,12,14)
InChIKeyBRKCUFUBMBTVGV-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride (CID 118834586) is 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride is Nc1cc(C(=O)Cl)[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is BRKCUFUBMBTVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-5(13)3-1-2(11)4(6(9)10)7(14)12-3/h1,6H,(H3,11,12,14).
What are the key properties of 4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-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-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 118834586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).