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

C7H3ClF2N2O4 — CID 133102742

IUPAC4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)cc([N+](=O)[O-])[nH]c1=O
InChIInChI=1S/C7H3ClF2N2O4/c8-5(13)4-2(6(9)10)1-3(12(15)16)11-7(4)14/h1,6H,(H,11,14)
InChIKeyCWOOUWIMUBNELI-UHFFFAOYSA-N
MW252.56 g/mol
LogP1.60
Rot. Bonds3

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

4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 133102742) has the molecular formula C7H3ClF2N2O4 and a molecular weight of 252.56 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID133102742
Molecular FormulaC7H3ClF2N2O4
Molecular Weight252.56 g/mol
Exact Mass251.97
IUPAC Name4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)cc([N+](=O)[O-])[nH]c1=O
InChIInChI=1S/C7H3ClF2N2O4/c8-5(13)4-2(6(9)10)1-3(12(15)16)11-7(4)14/h1,6H,(H,11,14)
InChIKeyCWOOUWIMUBNELI-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'}

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Related Compounds

5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonyl chloride
CID 133103135
3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
CID 134685592
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118829139
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118803456
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 131337929
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride (CID 133102742) is 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c(C(F)F)cc([N+](=O)[O-])[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is CWOOUWIMUBNELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O4/c8-5(13)4-2(6(9)10)1-3(12(15)16)11-7(4)14/h1,6H,(H,11,14).
What are the key properties of 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride?
4-(difluoromethyl)-6-nitro-2-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 4-(difluoromethyl)-6-nitro-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 133102742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).