6-methylsulfonylpyridine-2-carbaldehyde

C7H7NO3S — CID 84660044

IUPAC6-methylsulfonylpyridine-2-carbaldehyde
SMILESCS(=O)(=O)c1cccc(C=O)n1
InChIInChI=1S/C7H7NO3S/c1-12(10,11)7-4-2-3-6(5-9)8-7/h2-5H,1H3
InChIKeyIDQUTIILZUWXIF-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.30
Rot. Bonds2

About 6-methylsulfonylpyridine-2-carbaldehyde

6-methylsulfonylpyridine-2-carbaldehyde (PubChem CID 84660044) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 6-methylsulfonylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methylsulfonylpyridine-2-carbaldehyde
PubChem CID84660044
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name6-methylsulfonylpyridine-2-carbaldehyde
SMILESCS(=O)(=O)c1cccc(C=O)n1
InChIInChI=1S/C7H7NO3S/c1-12(10,11)7-4-2-3-6(5-9)8-7/h2-5H,1H3
InChIKeyIDQUTIILZUWXIF-UHFFFAOYSA-N
XLogP0.30
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonylpyridine-2-carbaldehyde?
The IUPAC name of 6-methylsulfonylpyridine-2-carbaldehyde (CID 84660044) is 6-methylsulfonylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-methylsulfonylpyridine-2-carbaldehyde?
The canonical SMILES for 6-methylsulfonylpyridine-2-carbaldehyde is CS(=O)(=O)c1cccc(C=O)n1.
What is the InChIKey of 6-methylsulfonylpyridine-2-carbaldehyde?
The InChIKey is IDQUTIILZUWXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c1-12(10,11)7-4-2-3-6(5-9)8-7/h2-5H,1H3.
What are the key properties of 6-methylsulfonylpyridine-2-carbaldehyde?
6-methylsulfonylpyridine-2-carbaldehyde has a molecular weight of 185.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonylpyridine-2-carbaldehyde is sourced from PubChem (CID 84660044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).