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

C7H6ClF2NO3S — CID 118815341

IUPAC6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)cnc1C(F)F
InChIInChI=1S/C7H6ClF2NO3S/c1-14-5-2-4(15(8,12)13)3-11-6(5)7(9)10/h2-3,7H,1H3
InChIKeyVPDXWHWILADTFJ-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.96
Rot. Bonds3

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

6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride (PubChem CID 118815341) has the molecular formula C7H6ClF2NO3S and a molecular weight of 257.64 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
PubChem CID118815341
Molecular FormulaC7H6ClF2NO3S
Molecular Weight257.64 g/mol
Exact Mass256.97
IUPAC Name6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)cnc1C(F)F
InChIInChI=1S/C7H6ClF2NO3S/c1-14-5-2-4(15(8,12)13)3-11-6(5)7(9)10/h2-3,7H,1H3
InChIKeyVPDXWHWILADTFJ-UHFFFAOYSA-N
XLogP1.96
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride (CID 118815341) is 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride is COc1cc(S(=O)(=O)Cl)cnc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride?
The InChIKey is VPDXWHWILADTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO3S/c1-14-5-2-4(15(8,12)13)3-11-6(5)7(9)10/h2-3,7H,1H3.
What are the key properties of 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride?
6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride has a molecular weight of 257.64 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 118815341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).