2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride

C7H3ClF2N2O4 — CID 118803456

IUPAC2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)[nH]cc([N+](=O)[O-])c1=O
InChIInChI=1S/C7H3ClF2N2O4/c8-6(14)3-4(7(9)10)11-1-2(5(3)13)12(15)16/h1,7H,(H,11,13)
InChIKeyIROBQRJPPLJAMK-UHFFFAOYSA-N
MW252.56 g/mol
LogP1.60
Rot. Bonds3

About 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride

2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118803456) has the molecular formula C7H3ClF2N2O4 and a molecular weight of 252.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118803456
Molecular FormulaC7H3ClF2N2O4
Molecular Weight252.56 g/mol
Exact Mass251.97
IUPAC Name2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)[nH]cc([N+](=O)[O-])c1=O
InChIInChI=1S/C7H3ClF2N2O4/c8-6(14)3-4(7(9)10)11-1-2(5(3)13)12(15)16/h1,7H,(H,11,13)
InChIKeyIROBQRJPPLJAMK-UHFFFAOYSA-N
XLogP1.60
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.56
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118815340
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile
CID 130076532
methyl 2-[2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridin-3-yl]acetate
CID 133103204
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonyl chloride
CID 133103135
2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
CID 118814916
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
2-(difluoromethyl)-4-nitropyridine-3-carbonyl chloride
CID 118815293
2-(aminomethyl)-3-(difluoromethyl)-5-nitro-1H-pyridin-4-one
CID 118803016
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
CID 130083170
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 133102742
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride (CID 118803456) is 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c(C(F)F)[nH]cc([N+](=O)[O-])c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is IROBQRJPPLJAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O4/c8-6(14)3-4(7(9)10)11-1-2(5(3)13)12(15)16/h1,7H,(H,11,13).
What are the key properties of 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride?
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 252.56 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118803456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).