5-methylpyridine-3-carbaldehyde

C7H7NO — CID 14141158

IUPAC5-methylpyridine-3-carbaldehyde
SMILESCc1cncc(C=O)c1
InChIInChI=1S/C7H7NO/c1-6-2-7(5-9)4-8-3-6/h2-5H,1H3
InChIKeyBCSGDXYJDSJMFA-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.20
Rot. Bonds1

About 5-methylpyridine-3-carbaldehyde

5-methylpyridine-3-carbaldehyde (PubChem CID 14141158) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methylpyridine-3-carbaldehyde
PubChem CID14141158
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name5-methylpyridine-3-carbaldehyde
SMILESCc1cncc(C=O)c1
InChIInChI=1S/C7H7NO/c1-6-2-7(5-9)4-8-3-6/h2-5H,1H3
InChIKeyBCSGDXYJDSJMFA-UHFFFAOYSA-N
XLogP1.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylpyridine-3-carbaldehyde?
The IUPAC name of 5-methylpyridine-3-carbaldehyde (CID 14141158) is 5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 5-methylpyridine-3-carbaldehyde is Cc1cncc(C=O)c1.
What is the InChIKey of 5-methylpyridine-3-carbaldehyde?
The InChIKey is BCSGDXYJDSJMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-2-7(5-9)4-8-3-6/h2-5H,1H3.
What are the key properties of 5-methylpyridine-3-carbaldehyde?
5-methylpyridine-3-carbaldehyde has a molecular weight of 121.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 14141158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).