5-hydroxy-6-methylpyridine-3-carbaldehyde

C7H7NO2 — CID 15619958

IUPAC5-hydroxy-6-methylpyridine-3-carbaldehyde
SMILESCc1ncc(C=O)cc1O
InChIInChI=1S/C7H7NO2/c1-5-7(10)2-6(4-9)3-8-5/h2-4,10H,1H3
InChIKeyRZCKRVBPFXTOFV-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.91
Rot. Bonds1

About 5-hydroxy-6-methylpyridine-3-carbaldehyde

5-hydroxy-6-methylpyridine-3-carbaldehyde (PubChem CID 15619958) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 5-hydroxy-6-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-6-methylpyridine-3-carbaldehyde
PubChem CID15619958
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name5-hydroxy-6-methylpyridine-3-carbaldehyde
SMILESCc1ncc(C=O)cc1O
InChIInChI=1S/C7H7NO2/c1-5-7(10)2-6(4-9)3-8-5/h2-4,10H,1H3
InChIKeyRZCKRVBPFXTOFV-UHFFFAOYSA-N
XLogP0.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
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-hydroxy-6-methylpyridine-3-carbaldehyde?
The IUPAC name of 5-hydroxy-6-methylpyridine-3-carbaldehyde (CID 15619958) is 5-hydroxy-6-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-hydroxy-6-methylpyridine-3-carbaldehyde?
The canonical SMILES for 5-hydroxy-6-methylpyridine-3-carbaldehyde is Cc1ncc(C=O)cc1O.
What is the InChIKey of 5-hydroxy-6-methylpyridine-3-carbaldehyde?
The InChIKey is RZCKRVBPFXTOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5-7(10)2-6(4-9)3-8-5/h2-4,10H,1H3.
What are the key properties of 5-hydroxy-6-methylpyridine-3-carbaldehyde?
5-hydroxy-6-methylpyridine-3-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 15619958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).