3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride

C7H2BrClF2N2O2S — CID 130109174

IUPAC3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESN#Cc1ncc(C(F)F)c(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C7H2BrClF2N2O2S/c8-5-4(1-12)13-2-3(7(10)11)6(5)16(9,14)15/h2,7H
InChIKeyNZFKPKUYUZXAEO-UHFFFAOYSA-N
MW331.53 g/mol
LogP2.58
Rot. Bonds2

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

3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride (PubChem CID 130109174) has the molecular formula C7H2BrClF2N2O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
PubChem CID130109174
Molecular FormulaC7H2BrClF2N2O2S
Molecular Weight331.53 g/mol
Exact Mass329.87
IUPAC Name3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESN#Cc1ncc(C(F)F)c(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C7H2BrClF2N2O2S/c8-5-4(1-12)13-2-3(7(10)11)6(5)16(9,14)15/h2,7H
InChIKeyNZFKPKUYUZXAEO-UHFFFAOYSA-N
XLogP2.58
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118811799
4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118829099
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130078494
4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118850596
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
ethyl 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-carboxylate
CID 134677907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride?
The IUPAC name of 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride (CID 130109174) is 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride?
The canonical SMILES for 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride is N#Cc1ncc(C(F)F)c(S(=O)(=O)Cl)c1Br.
What is the InChIKey of 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride?
The InChIKey is NZFKPKUYUZXAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2N2O2S/c8-5-4(1-12)13-2-3(7(10)11)6(5)16(9,14)15/h2,7H.
What are the key properties of 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride?
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride has a molecular weight of 331.53 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 130109174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).