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

C7H2ClF3N2O2S — CID 130076337

IUPAC6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
SMILESN#Cc1nc(S(=O)(=O)Cl)c(F)cc1C(F)F
InChIInChI=1S/C7H2ClF3N2O2S/c8-16(14,15)7-4(9)1-3(6(10)11)5(2-12)13-7/h1,6H
InChIKeyDNXQHDJVEPDMQC-UHFFFAOYSA-N
MW270.62 g/mol
LogP1.96
Rot. Bonds2

About 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride

6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride (PubChem CID 130076337) has the molecular formula C7H2ClF3N2O2S and a molecular weight of 270.62 g/mol. Its IUPAC name is 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
PubChem CID130076337
Molecular FormulaC7H2ClF3N2O2S
Molecular Weight270.62 g/mol
Exact Mass269.95
IUPAC Name6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
SMILESN#Cc1nc(S(=O)(=O)Cl)c(F)cc1C(F)F
InChIInChI=1S/C7H2ClF3N2O2S/c8-16(14,15)7-4(9)1-3(6(10)11)5(2-12)13-7/h1,6H
InChIKeyDNXQHDJVEPDMQC-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

6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
CID 130078518
6-cyano-4-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 130077741
2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130078494
6-amino-2-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103708
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134685934

Frequently Asked Questions

What is the IUPAC name of 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride (CID 130076337) is 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride is N#Cc1nc(S(=O)(=O)Cl)c(F)cc1C(F)F.
What is the InChIKey of 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride?
The InChIKey is DNXQHDJVEPDMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2O2S/c8-16(14,15)7-4(9)1-3(6(10)11)5(2-12)13-7/h1,6H.
What are the key properties of 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride?
6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-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 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 130076337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).