3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride

C8H8ClF2NO3S — CID 130088007

IUPAC3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
SMILESCOc1ncc(C)c(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C8H8ClF2NO3S/c1-4-3-12-8(15-2)5(7(10)11)6(4)16(9,13)14/h3,7H,1-2H3
InChIKeyLCINEYAFXZYCEO-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.26
Rot. Bonds3

About 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride

3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride (PubChem CID 130088007) has the molecular formula C8H8ClF2NO3S and a molecular weight of 271.67 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
PubChem CID130088007
Molecular FormulaC8H8ClF2NO3S
Molecular Weight271.67 g/mol
Exact Mass270.99
IUPAC Name3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
SMILESCOc1ncc(C)c(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C8H8ClF2NO3S/c1-4-3-12-8(15-2)5(7(10)11)6(4)16(9,13)14/h3,7H,1-2H3
InChIKeyLCINEYAFXZYCEO-UHFFFAOYSA-N
XLogP2.26
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 118828945
3-(difluoromethyl)-2,5-dimethoxypyridine-4-sulfonamide
CID 134670782
4-amino-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118817786
4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 118817420
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide
CID 130074581
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994
3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020
4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
CID 133099697

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride (CID 130088007) is 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride is COc1ncc(C)c(S(=O)(=O)Cl)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride?
The InChIKey is LCINEYAFXZYCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO3S/c1-4-3-12-8(15-2)5(7(10)11)6(4)16(9,13)14/h3,7H,1-2H3.
What are the key properties of 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride?
3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride has a molecular weight of 271.67 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride is sourced from PubChem (CID 130088007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).