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

C7H5ClF2N2O2 — CID 130105009

IUPAC6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESNc1cc(=O)c(C(=O)Cl)c(C(F)F)[nH]1
InChIInChI=1S/C7H5ClF2N2O2/c8-6(14)4-2(13)1-3(11)12-5(4)7(9)10/h1,7H,(H3,11,12,13)
InChIKeyCTNGELSZGMDAPK-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.27
Rot. Bonds2

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

6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 130105009) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID130105009
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESNc1cc(=O)c(C(=O)Cl)c(C(F)F)[nH]1
InChIInChI=1S/C7H5ClF2N2O2/c8-6(14)4-2(13)1-3(11)12-5(4)7(9)10/h1,7H,(H3,11,12,13)
InChIKeyCTNGELSZGMDAPK-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 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride (CID 130105009) is 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride is Nc1cc(=O)c(C(=O)Cl)c(C(F)F)[nH]1.
What is the InChIKey of 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is CTNGELSZGMDAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-6(14)4-2(13)1-3(11)12-5(4)7(9)10/h1,7H,(H3,11,12,13).
What are the key properties of 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride?
6-amino-2-(difluoromethyl)-4-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 6-amino-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 130105009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).