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

C7H2ClF3N2O2S — CID 130076336

IUPAC2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
SMILESN#Cc1ncc(F)c(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C7H2ClF3N2O2S/c8-16(14,15)6-3(9)2-13-4(1-12)5(6)7(10)11/h2,7H
InChIKeyFYCMAKLEBDJUMT-UHFFFAOYSA-N
MW270.62 g/mol
LogP1.96
Rot. Bonds2

About 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride

2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride (PubChem CID 130076336) has the molecular formula C7H2ClF3N2O2S and a molecular weight of 270.62 g/mol. Its IUPAC name is 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
PubChem CID130076336
Molecular FormulaC7H2ClF3N2O2S
Molecular Weight270.62 g/mol
Exact Mass269.95
IUPAC Name2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
SMILESN#Cc1ncc(F)c(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C7H2ClF3N2O2S/c8-16(14,15)6-3(9)2-13-4(1-12)5(6)7(10)11/h2,7H
InChIKeyFYCMAKLEBDJUMT-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-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
CID 130076214
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride?
The IUPAC name of 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride (CID 130076336) is 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride?
The canonical SMILES for 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride is N#Cc1ncc(F)c(S(=O)(=O)Cl)c1C(F)F.
What is the InChIKey of 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride?
The InChIKey is FYCMAKLEBDJUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2O2S/c8-16(14,15)6-3(9)2-13-4(1-12)5(6)7(10)11/h2,7H.
What are the key properties of 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride?
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-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 2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride is sourced from PubChem (CID 130076336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).