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

C6H5ClF2N2O3S — CID 130105040

IUPAC2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride
SMILESNc1[nH]c(=O)cc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C6H5ClF2N2O3S/c7-15(13,14)2-1-3(12)11-6(10)4(2)5(8)9/h1,5H,(H3,10,11,12)
InChIKeyURHDCWOQPHZNJP-UHFFFAOYSA-N
MW258.63 g/mol
LogP0.82
Rot. Bonds2

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

2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride (PubChem CID 130105040) has the molecular formula C6H5ClF2N2O3S and a molecular weight of 258.63 g/mol. Its IUPAC name is 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride
PubChem CID130105040
Molecular FormulaC6H5ClF2N2O3S
Molecular Weight258.63 g/mol
Exact Mass257.97
IUPAC Name2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride
SMILESNc1[nH]c(=O)cc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C6H5ClF2N2O3S/c7-15(13,14)2-1-3(12)11-6(10)4(2)5(8)9/h1,5H,(H3,10,11,12)
InChIKeyURHDCWOQPHZNJP-UHFFFAOYSA-N
XLogP0.82
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride
CID 130105066
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride
CID 118811667
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 130105085
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonyl chloride
CID 130105042
6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 118992620
2-amino-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094943
4-amino-6-(bromomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104697
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
5-amino-2-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094958

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride?
The IUPAC name of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride (CID 130105040) is 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride?
The canonical SMILES for 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride is Nc1[nH]c(=O)cc(S(=O)(=O)Cl)c1C(F)F.
What is the InChIKey of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride?
The InChIKey is URHDCWOQPHZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O3S/c7-15(13,14)2-1-3(12)11-6(10)4(2)5(8)9/h1,5H,(H3,10,11,12).
What are the key properties of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride?
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride has a molecular weight of 258.63 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride is sourced from PubChem (CID 130105040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).