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

C6H3ClF2N2O5S — CID 131337929

IUPAC3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride
SMILESO=c1cc([N+](=O)[O-])[nH]c(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C6H3ClF2N2O5S/c7-17(15,16)6-4(5(8)9)2(12)1-3(10-6)11(13)14/h1,5H,(H,10,12)
InChIKeyJZWYZTRXMASVOJ-UHFFFAOYSA-N
MW288.62 g/mol
LogP1.15
Rot. Bonds3

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

3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride (PubChem CID 131337929) has the molecular formula C6H3ClF2N2O5S and a molecular weight of 288.62 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride
PubChem CID131337929
Molecular FormulaC6H3ClF2N2O5S
Molecular Weight288.62 g/mol
Exact Mass287.94
IUPAC Name3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride
SMILESO=c1cc([N+](=O)[O-])[nH]c(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C6H3ClF2N2O5S/c7-17(15,16)6-4(5(8)9)2(12)1-3(10-6)11(13)14/h1,5H,(H,10,12)
InChIKeyJZWYZTRXMASVOJ-UHFFFAOYSA-N
XLogP1.15
TPSA110.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2-(difluoromethyl)-6-nitro-1H-pyridin-4-one
CID 130084252
4-(difluoromethyl)-3-iodo-5-nitrobenzenesulfonyl chloride
CID 172969530
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 130105085
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243
5-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-carbaldehyde
CID 130084413
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
3-(difluoromethoxy)-4-(difluoromethyl)-5-nitrobenzenesulfonyl chloride
CID 172969275
3-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 130097988
5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
CID 130083640
6-bromo-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 119017611
5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one
CID 130082573

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride (CID 131337929) is 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride is O=c1cc([N+](=O)[O-])[nH]c(S(=O)(=O)Cl)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride?
The InChIKey is JZWYZTRXMASVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N2O5S/c7-17(15,16)6-4(5(8)9)2(12)1-3(10-6)11(13)14/h1,5H,(H,10,12).
What are the key properties of 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride?
3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride has a molecular weight of 288.62 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-sulfonyl chloride is sourced from PubChem (CID 131337929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).