2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride

C8H5ClF2N2O3S — CID 131269666

IUPAC2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cc(C(F)F)c(S(=O)(=O)Cl)c(C#N)n1
InChIInChI=1S/C8H5ClF2N2O3S/c1-16-6-2-4(8(10)11)7(17(9,14)15)5(3-12)13-6/h2,8H,1H3
InChIKeyJQCFPZNIYPQBAW-UHFFFAOYSA-N
MW282.66 g/mol
LogP1.83
Rot. Bonds3

About 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride

2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride (PubChem CID 131269666) has the molecular formula C8H5ClF2N2O3S and a molecular weight of 282.66 g/mol. Its IUPAC name is 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
PubChem CID131269666
Molecular FormulaC8H5ClF2N2O3S
Molecular Weight282.66 g/mol
Exact Mass281.97
IUPAC Name2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cc(C(F)F)c(S(=O)(=O)Cl)c(C#N)n1
InChIInChI=1S/C8H5ClF2N2O3S/c1-16-6-2-4(8(10)11)7(17(9,14)15)5(3-12)13-6/h2,8H,1H3
InChIKeyJQCFPZNIYPQBAW-UHFFFAOYSA-N
XLogP1.83
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130078494
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872
4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile
CID 118995379
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
CID 118800764
4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 130074025
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130076337
6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 130069585
methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134676477
3-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990236

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride (CID 131269666) is 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride is COc1cc(C(F)F)c(S(=O)(=O)Cl)c(C#N)n1.
What is the InChIKey of 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The InChIKey is JQCFPZNIYPQBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O3S/c1-16-6-2-4(8(10)11)7(17(9,14)15)5(3-12)13-6/h2,8H,1H3.
What are the key properties of 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride has a molecular weight of 282.66 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 131269666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).