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

C7H6ClF2NO4S — CID 118800764

IUPAC4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
SMILESCOc1cc(C(F)F)c(O)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C7H6ClF2NO4S/c1-15-4-2-3(6(9)10)5(12)7(11-4)16(8,13)14/h2,6,12H,1H3
InChIKeyQUIUEXSNSWUPSN-UHFFFAOYSA-N
MW273.64 g/mol
LogP1.66
Rot. Bonds3

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

4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride (PubChem CID 118800764) has the molecular formula C7H6ClF2NO4S and a molecular weight of 273.64 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
PubChem CID118800764
Molecular FormulaC7H6ClF2NO4S
Molecular Weight273.64 g/mol
Exact Mass272.97
IUPAC Name4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
SMILESCOc1cc(C(F)F)c(O)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C7H6ClF2NO4S/c1-15-4-2-3(6(9)10)5(12)7(11-4)16(8,13)14/h2,6,12H,1H3
InChIKeyQUIUEXSNSWUPSN-UHFFFAOYSA-N
XLogP1.66
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride (CID 118800764) is 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride is COc1cc(C(F)F)c(O)c(S(=O)(=O)Cl)n1.
What is the InChIKey of 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride?
The InChIKey is QUIUEXSNSWUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO4S/c1-15-4-2-3(6(9)10)5(12)7(11-4)16(8,13)14/h2,6,12H,1H3.
What are the key properties of 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride?
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride has a molecular weight of 273.64 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 118800764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).