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

C7H3ClF2N2O3S — CID 130077018

IUPAC6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
SMILESN#Cc1cc(C(F)F)c(S(=O)(=O)Cl)c(=O)[nH]1
InChIInChI=1S/C7H3ClF2N2O3S/c8-16(14,15)5-4(6(9)10)1-3(2-11)12-7(5)13/h1,6H,(H,12,13)
InChIKeyKLGBKHSMMZKYEB-UHFFFAOYSA-N
MW268.63 g/mol
LogP1.11
Rot. Bonds2

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

6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride (PubChem CID 130077018) has the molecular formula C7H3ClF2N2O3S and a molecular weight of 268.63 g/mol. Its IUPAC name is 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
PubChem CID130077018
Molecular FormulaC7H3ClF2N2O3S
Molecular Weight268.63 g/mol
Exact Mass267.95
IUPAC Name6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
SMILESN#Cc1cc(C(F)F)c(S(=O)(=O)Cl)c(=O)[nH]1
InChIInChI=1S/C7H3ClF2N2O3S/c8-16(14,15)5-4(6(9)10)1-3(2-11)12-7(5)13/h1,6H,(H,12,13)
InChIKeyKLGBKHSMMZKYEB-UHFFFAOYSA-N
XLogP1.11
TPSA90.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 130076692
4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride
CID 118817447
2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130078494
4-cyano-2-(difluoromethyl)-6-nitrobenzenesulfonyl chloride
CID 118833910
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 130076699
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
CID 130072899
5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
CID 130076436
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
2-cyano-3-(difluoromethyl)-6-methylbenzenesulfonyl chloride
CID 131485072

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride (CID 130077018) is 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride is N#Cc1cc(C(F)F)c(S(=O)(=O)Cl)c(=O)[nH]1.
What is the InChIKey of 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride?
The InChIKey is KLGBKHSMMZKYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O3S/c8-16(14,15)5-4(6(9)10)1-3(2-11)12-7(5)13/h1,6H,(H,12,13).
What are the key properties of 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride?
6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride has a molecular weight of 268.63 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 130077018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).