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

C8H5ClF2N2O3S — CID 131459192

IUPAC5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
SMILESCOc1nc(C(F)F)c(C#N)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H5ClF2N2O3S/c1-16-8-5(17(9,14)15)2-4(3-12)6(13-8)7(10)11/h2,7H,1H3
InChIKeyRYXLDDQKDOABHR-UHFFFAOYSA-N
MW282.66 g/mol
LogP1.83
Rot. Bonds3

About 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride

5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride (PubChem CID 131459192) has the molecular formula C8H5ClF2N2O3S and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
PubChem CID131459192
Molecular FormulaC8H5ClF2N2O3S
Molecular Weight282.66 g/mol
Exact Mass281.97
IUPAC Name5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
SMILESCOc1nc(C(F)F)c(C#N)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H5ClF2N2O3S/c1-16-8-5(17(9,14)15)2-4(3-12)6(13-8)7(10)11/h2,7H,1H3
InChIKeyRYXLDDQKDOABHR-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-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103729
2-amino-5-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 119021912
5-cyano-4-(difluoromethyl)-2-ethylbenzenesulfonyl chloride
CID 131468276
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130074002
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride
CID 118843442
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride (CID 131459192) is 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride is COc1nc(C(F)F)c(C#N)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride?
The InChIKey is RYXLDDQKDOABHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O3S/c1-16-8-5(17(9,14)15)2-4(3-12)6(13-8)7(10)11/h2,7H,1H3.
What are the key properties of 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride?
5-cyano-6-(difluoromethyl)-2-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 5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 131459192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).