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

C7H2Cl2F2N2O2S — CID 130071437

IUPAC2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESN#Cc1cnc(Cl)c(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2Cl2F2N2O2S/c8-6-4(7(10)11)5(16(9,14)15)3(1-12)2-13-6/h2,7H
InChIKeyVICOZFMNPCGDSM-UHFFFAOYSA-N
MW287.07 g/mol
LogP2.47
Rot. Bonds2

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

2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride (PubChem CID 130071437) has the molecular formula C7H2Cl2F2N2O2S and a molecular weight of 287.07 g/mol. Its IUPAC name is 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
PubChem CID130071437
Molecular FormulaC7H2Cl2F2N2O2S
Molecular Weight287.07 g/mol
Exact Mass285.92
IUPAC Name2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESN#Cc1cnc(Cl)c(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2Cl2F2N2O2S/c8-6-4(7(10)11)5(16(9,14)15)3(1-12)2-13-6/h2,7H
InChIKeyVICOZFMNPCGDSM-UHFFFAOYSA-N
XLogP2.47
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130108482
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 131454528
2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130099195
2-chloro-3-(difluoromethyl)-5-hydroxypyridine-4-sulfonamide
CID 130072896
5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide
CID 134669756
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide
CID 130074581
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118850677
6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The IUPAC name of 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride (CID 130071437) is 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The canonical SMILES for 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride is N#Cc1cnc(Cl)c(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The InChIKey is VICOZFMNPCGDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2N2O2S/c8-6-4(7(10)11)5(16(9,14)15)3(1-12)2-13-6/h2,7H.
What are the key properties of 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride has a molecular weight of 287.07 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 130071437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).