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

C12H10N2OS — CID 80640360

IUPAC5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Sc1ccccn1
InChIInChI=1S/C12H10N2OS/c1-9-6-10(8-15)7-14-12(9)16-11-4-2-3-5-13-11/h2-8H,1H3
InChIKeyNNWGHRZOKZWCAZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.75
Rot. Bonds3

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

5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde (PubChem CID 80640360) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde
PubChem CID80640360
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Sc1ccccn1
InChIInChI=1S/C12H10N2OS/c1-9-6-10(8-15)7-14-12(9)16-11-4-2-3-5-13-11/h2-8H,1H3
InChIKeyNNWGHRZOKZWCAZ-UHFFFAOYSA-N
XLogP2.75
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.75
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 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde (CID 80640360) is 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1Sc1ccccn1.
What is the InChIKey of 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde?
The InChIKey is NNWGHRZOKZWCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-9-6-10(8-15)7-14-12(9)16-11-4-2-3-5-13-11/h2-8H,1H3.
What are the key properties of 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde?
5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde has a molecular weight of 230.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde is sourced from PubChem (CID 80640360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).