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

C7H6ClF2NO3S — CID 130084088

IUPAC6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
SMILESCc1[nH]c(C(F)F)cc(=O)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClF2NO3S/c1-3-6(15(8,13)14)5(12)2-4(11-3)7(9)10/h2,7H,1H3,(H,11,12)
InChIKeyCNVPYYYRLDINTI-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.55
Rot. Bonds2

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

6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride (PubChem CID 130084088) has the molecular formula C7H6ClF2NO3S and a molecular weight of 257.64 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
PubChem CID130084088
Molecular FormulaC7H6ClF2NO3S
Molecular Weight257.64 g/mol
Exact Mass256.97
IUPAC Name6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
SMILESCc1[nH]c(C(F)F)cc(=O)c1S(=O)(=O)Cl
InChIInChI=1S/C7H6ClF2NO3S/c1-3-6(15(8,13)14)5(12)2-4(11-3)7(9)10/h2,7H,1H3,(H,11,12)
InChIKeyCNVPYYYRLDINTI-UHFFFAOYSA-N
XLogP1.55
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118832264
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 130105085
2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 119002782
6-(difluoromethyl)-4-methyl-2-oxo-1H-pyridine-3-sulfonamide
CID 130084130
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118841024
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130072851
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
CID 62892262
2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
CID 55127526
5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride
CID 82383636

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride (CID 130084088) is 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride is Cc1[nH]c(C(F)F)cc(=O)c1S(=O)(=O)Cl.
What is the InChIKey of 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride?
The InChIKey is CNVPYYYRLDINTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO3S/c1-3-6(15(8,13)14)5(12)2-4(11-3)7(9)10/h2,7H,1H3,(H,11,12).
What are the key properties of 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride?
6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride has a molecular weight of 257.64 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 130084088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).