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

C8H5ClF2N2O2S — CID 130078518

IUPAC3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
SMILESCc1cc(C(F)F)c(C#N)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C8H5ClF2N2O2S/c1-4-2-5(7(10)11)6(3-12)8(13-4)16(9,14)15/h2,7H,1H3
InChIKeyLIMUDYTZFONCEL-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.13
Rot. Bonds2

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

3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride (PubChem CID 130078518) has the molecular formula C8H5ClF2N2O2S and a molecular weight of 266.66 g/mol. Its IUPAC name is 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
PubChem CID130078518
Molecular FormulaC8H5ClF2N2O2S
Molecular Weight266.66 g/mol
Exact Mass265.97
IUPAC Name3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
SMILESCc1cc(C(F)F)c(C#N)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C8H5ClF2N2O2S/c1-4-2-5(7(10)11)6(3-12)8(13-4)16(9,14)15/h2,7H,1H3
InChIKeyLIMUDYTZFONCEL-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-methylpyridine-3-sulfonyl chloride
CID 130078494
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
4-chloro-3-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
CID 130074573
6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130076337
3-cyano-4-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 134685094
3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 15725414
6-cyano-4-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 130077741
2-cyano-3-(difluoromethyl)-6-methylbenzenesulfonyl chloride
CID 131485072
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
CID 119002592
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118850099
2-cyano-4-(difluoromethyl)-5-methylbenzenesulfonyl chloride
CID 131485077

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride?
The IUPAC name of 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride (CID 130078518) is 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride?
The canonical SMILES for 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride is Cc1cc(C(F)F)c(C#N)c(S(=O)(=O)Cl)n1.
What is the InChIKey of 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride?
The InChIKey is LIMUDYTZFONCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O2S/c1-4-2-5(7(10)11)6(3-12)8(13-4)16(9,14)15/h2,7H,1H3.
What are the key properties of 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride?
3-cyano-4-(difluoromethyl)-6-methylpyridine-2-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 3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 130078518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).