5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride

C7H2ClF3N2O2S — CID 130076358

IUPAC5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
SMILESN#Cc1c(C(F)F)ncc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H2ClF3N2O2S/c8-16(14,15)4-2-13-6(7(10)11)3(1-12)5(4)9/h2,7H
InChIKeyWZYBZDHCQPDPQU-UHFFFAOYSA-N
MW270.62 g/mol
LogP1.96
Rot. Bonds2

About 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride

5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride (PubChem CID 130076358) has the molecular formula C7H2ClF3N2O2S and a molecular weight of 270.62 g/mol. Its IUPAC name is 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
PubChem CID130076358
Molecular FormulaC7H2ClF3N2O2S
Molecular Weight270.62 g/mol
Exact Mass269.95
IUPAC Name5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
SMILESN#Cc1c(C(F)F)ncc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H2ClF3N2O2S/c8-16(14,15)4-2-13-6(7(10)11)3(1-12)5(4)9/h2,7H
InChIKeyWZYBZDHCQPDPQU-UHFFFAOYSA-N
XLogP1.96
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.62
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103695
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile
CID 130108575
5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
CID 130078361
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
2-(difluoromethyl)-4-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076837

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride?
The IUPAC name of 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride (CID 130076358) is 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride?
The canonical SMILES for 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride is N#Cc1c(C(F)F)ncc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride?
The InChIKey is WZYBZDHCQPDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2O2S/c8-16(14,15)4-2-13-6(7(10)11)3(1-12)5(4)9/h2,7H.
What are the key properties of 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride?
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride has a molecular weight of 270.62 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride is sourced from PubChem (CID 130076358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).