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

C7H5Cl2F2NO3S — CID 130074025

IUPAC4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cc(Cl)c(S(=O)(=O)Cl)c(C(F)F)n1
InChIInChI=1S/C7H5Cl2F2NO3S/c1-15-4-2-3(8)6(16(9,13)14)5(12-4)7(10)11/h2,7H,1H3
InChIKeyIPOYSZLJWGDQJC-UHFFFAOYSA-N
MW292.09 g/mol
LogP2.61
Rot. Bonds3

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

4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride (PubChem CID 130074025) has the molecular formula C7H5Cl2F2NO3S and a molecular weight of 292.09 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
PubChem CID130074025
Molecular FormulaC7H5Cl2F2NO3S
Molecular Weight292.09 g/mol
Exact Mass290.93
IUPAC Name4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cc(Cl)c(S(=O)(=O)Cl)c(C(F)F)n1
InChIInChI=1S/C7H5Cl2F2NO3S/c1-15-4-2-3(8)6(16(9,13)14)5(12-4)7(10)11/h2,7H,1H3
InChIKeyIPOYSZLJWGDQJC-UHFFFAOYSA-N
XLogP2.61
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
CID 130073917
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130074002
6-chloro-2-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130073999
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
CID 118800764
2-(difluoromethyl)-3-iodo-6-methoxypyridin-4-amine
CID 118840612
2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
CID 134676666
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride
CID 118843442
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-sulfonyl chloride
CID 118799821

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride (CID 130074025) is 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride is COc1cc(Cl)c(S(=O)(=O)Cl)c(C(F)F)n1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The InChIKey is IPOYSZLJWGDQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO3S/c1-15-4-2-3(8)6(16(9,13)14)5(12-4)7(10)11/h2,7H,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride has a molecular weight of 292.09 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 130074025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).