5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde

C17H13NOS — CID 80640768

IUPAC5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H13NOS/c1-12-8-13(11-19)10-18-17(12)20-16-7-6-14-4-2-3-5-15(14)9-16/h2-11H,1H3
InChIKeyHEEDNWDWLMYUMW-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.51
Rot. Bonds3

About 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde

5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde (PubChem CID 80640768) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde
PubChem CID80640768
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H13NOS/c1-12-8-13(11-19)10-18-17(12)20-16-7-6-14-4-2-3-5-15(14)9-16/h2-11H,1H3
InChIKeyHEEDNWDWLMYUMW-UHFFFAOYSA-N
XLogP4.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.51
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 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde (CID 80640768) is 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1Sc1ccc2ccccc2c1.
What is the InChIKey of 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde?
The InChIKey is HEEDNWDWLMYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c1-12-8-13(11-19)10-18-17(12)20-16-7-6-14-4-2-3-5-15(14)9-16/h2-11H,1H3.
What are the key properties of 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde?
5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde has a molecular weight of 279.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde is sourced from PubChem (CID 80640768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).