2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride

C7H5Cl2F2NO3S — CID 130073994

IUPAC2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
SMILESCOc1c(C(F)F)cnc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl2F2NO3S/c1-15-4-3(7(10)11)2-12-6(8)5(4)16(9,13)14/h2,7H,1H3
InChIKeyLLDUYELUKOWVKO-UHFFFAOYSA-N
MW292.09 g/mol
LogP2.61
Rot. Bonds3

About 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride

2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride (PubChem CID 130073994) has the molecular formula C7H5Cl2F2NO3S and a molecular weight of 292.09 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
PubChem CID130073994
Molecular FormulaC7H5Cl2F2NO3S
Molecular Weight292.09 g/mol
Exact Mass290.93
IUPAC Name2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
SMILESCOc1c(C(F)F)cnc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl2F2NO3S/c1-15-4-3(7(10)11)2-12-6(8)5(4)16(9,13)14/h2,7H,1H3
InChIKeyLLDUYELUKOWVKO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
4-amino-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118817786
2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
CID 118849085
5-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonyl chloride
CID 130069032
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
3-chloro-5-(difluoromethyl)-2,4-dimethoxypyridine
CID 130100817
2-chloro-5-(difluoromethyl)-4-methylpyridine-3-sulfonamide
CID 119010660
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130072984
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073927
methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134663534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride (CID 130073994) is 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride is COc1c(C(F)F)cnc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride?
The InChIKey is LLDUYELUKOWVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO3S/c1-15-4-3(7(10)11)2-12-6(8)5(4)16(9,13)14/h2,7H,1H3.
What are the key properties of 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride?
2-chloro-5-(difluoromethyl)-4-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 2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 130073994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).