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

C8H5ClF2N2O2S — CID 130078494

IUPAC2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
SMILESCc1cc(C(F)F)c(S(=O)(=O)Cl)c(C#N)n1
InChIInChI=1S/C8H5ClF2N2O2S/c1-4-2-5(8(10)11)7(16(9,14)15)6(3-12)13-4/h2,8H,1H3
InChIKeyFOQXHKUSSYKPLY-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.13
Rot. Bonds2

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

2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride (PubChem CID 130078494) has the molecular formula C8H5ClF2N2O2S and a molecular weight of 266.66 g/mol. Its IUPAC name is 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
PubChem CID130078494
Molecular FormulaC8H5ClF2N2O2S
Molecular Weight266.66 g/mol
Exact Mass265.97
IUPAC Name2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
SMILESCc1cc(C(F)F)c(S(=O)(=O)Cl)c(C#N)n1
InChIInChI=1S/C8H5ClF2N2O2S/c1-4-2-5(8(10)11)7(16(9,14)15)6(3-12)13-4/h2,8H,1H3
InChIKeyFOQXHKUSSYKPLY-UHFFFAOYSA-N
XLogP2.13
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
CID 130078518
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
CID 119002592
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
6-amino-2-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103708
3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130095837
6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130077018
2-cyano-3-(difluoromethyl)-6-methylbenzenesulfonyl chloride
CID 131485072
4-cyano-2-(difluoromethyl)-6-nitrobenzenesulfonyl chloride
CID 118833910
4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride
CID 118817447

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride (CID 130078494) is 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride is Cc1cc(C(F)F)c(S(=O)(=O)Cl)c(C#N)n1.
What is the InChIKey of 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride?
The InChIKey is FOQXHKUSSYKPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O2S/c1-4-2-5(8(10)11)7(16(9,14)15)6(3-12)13-4/h2,8H,1H3.
What are the key properties of 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride?
2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride has a molecular weight of 266.66 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 130078494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).