2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde

C13H11NOS — CID 102546006

IUPAC2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde
SMILESCc1nc(Sc2ccccc2)ccc1C=O
InChIInChI=1S/C13H11NOS/c1-10-11(9-15)7-8-13(14-10)16-12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyLNVGSDQIWMNSHK-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde

2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde (PubChem CID 102546006) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde
PubChem CID102546006
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde
SMILESCc1nc(Sc2ccccc2)ccc1C=O
InChIInChI=1S/C13H11NOS/c1-10-11(9-15)7-8-13(14-10)16-12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyLNVGSDQIWMNSHK-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.35
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 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde (CID 102546006) is 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde is Cc1nc(Sc2ccccc2)ccc1C=O.
What is the InChIKey of 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde?
The InChIKey is LNVGSDQIWMNSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-10-11(9-15)7-8-13(14-10)16-12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde?
2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde has a molecular weight of 229.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylsulfanylpyridine-3-carbaldehyde is sourced from PubChem (CID 102546006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).