6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde

C7H7NO2S — CID 129383923

IUPAC6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde
SMILESC[S@](=O)c1ccc(C=O)cn1
InChIInChI=1S/C7H7NO2S/c1-11(10)7-3-2-6(5-9)4-8-7/h2-5H,1H3/t11-/m0/s1
InChIKeyGDNRMHPEQAOTCQ-NSHDSACASA-N
MW169.20 g/mol
LogP0.63
Rot. Bonds2

About 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde

6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde (PubChem CID 129383923) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde
PubChem CID129383923
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde
SMILESC[S@](=O)c1ccc(C=O)cn1
InChIInChI=1S/C7H7NO2S/c1-11(10)7-3-2-6(5-9)4-8-7/h2-5H,1H3/t11-/m0/s1
InChIKeyGDNRMHPEQAOTCQ-NSHDSACASA-N
XLogP0.63
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(S)-methylsulfinyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde (CID 129383923) is 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde is C[S@](=O)c1ccc(C=O)cn1.
What is the InChIKey of 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde?
The InChIKey is GDNRMHPEQAOTCQ-NSHDSACASA-N. The full InChI is InChI=1S/C7H7NO2S/c1-11(10)7-3-2-6(5-9)4-8-7/h2-5H,1H3/t11-/m0/s1.
What are the key properties of 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde?
6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde has a molecular weight of 169.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 129383923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).