5-fluoro-4-formylpyridine-2-sulfonyl chloride

C6H3ClFNO3S — CID 162341912

IUPAC5-fluoro-4-formylpyridine-2-sulfonyl chloride
SMILESO=Cc1cc(S(=O)(=O)Cl)ncc1F
InChIInChI=1S/C6H3ClFNO3S/c7-13(11,12)6-1-4(3-10)5(8)2-9-6/h1-3H
InChIKeyGDSUUGKVIFBLKV-UHFFFAOYSA-N
MW223.61 g/mol
LogP0.96
Rot. Bonds2

About 5-fluoro-4-formylpyridine-2-sulfonyl chloride

5-fluoro-4-formylpyridine-2-sulfonyl chloride (PubChem CID 162341912) has the molecular formula C6H3ClFNO3S and a molecular weight of 223.61 g/mol. Its IUPAC name is 5-fluoro-4-formylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-4-formylpyridine-2-sulfonyl chloride
PubChem CID162341912
Molecular FormulaC6H3ClFNO3S
Molecular Weight223.61 g/mol
Exact Mass222.95
IUPAC Name5-fluoro-4-formylpyridine-2-sulfonyl chloride
SMILESO=Cc1cc(S(=O)(=O)Cl)ncc1F
InChIInChI=1S/C6H3ClFNO3S/c7-13(11,12)6-1-4(3-10)5(8)2-9-6/h1-3H
InChIKeyGDSUUGKVIFBLKV-UHFFFAOYSA-N
XLogP0.96
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 2763003
CID 2763003
CID 9817127
CID 9817127
CID 2762990
CID 2762990
CID 53485462
CID 53485462
CID 165508718
CID 165508718
CID 21262295
CID 21262295
CID 21698373
CID 21698373
CID 21698441
CID 21698441
CID 53485593
CID 53485593
CID 72212946
CID 72212946
CID 86652182
CID 86652182
CID 118817253
CID 118817253

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-formylpyridine-2-sulfonyl chloride?
The IUPAC name of 5-fluoro-4-formylpyridine-2-sulfonyl chloride (CID 162341912) is 5-fluoro-4-formylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-4-formylpyridine-2-sulfonyl chloride?
The canonical SMILES for 5-fluoro-4-formylpyridine-2-sulfonyl chloride is O=Cc1cc(S(=O)(=O)Cl)ncc1F.
What is the InChIKey of 5-fluoro-4-formylpyridine-2-sulfonyl chloride?
The InChIKey is GDSUUGKVIFBLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO3S/c7-13(11,12)6-1-4(3-10)5(8)2-9-6/h1-3H.
What are the key properties of 5-fluoro-4-formylpyridine-2-sulfonyl chloride?
5-fluoro-4-formylpyridine-2-sulfonyl chloride has a molecular weight of 223.61 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-formylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 162341912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).