2-(hydroxymethyl)pyridine-4-carbaldehyde

C7H7NO2 — CID 57336677

IUPAC2-(hydroxymethyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(CO)c1
InChIInChI=1S/C7H7NO2/c9-4-6-1-2-8-7(3-6)5-10/h1-4,10H,5H2
InChIKeyAROPODFXRVGCPP-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.39
Rot. Bonds2

About 2-(hydroxymethyl)pyridine-4-carbaldehyde

2-(hydroxymethyl)pyridine-4-carbaldehyde (PubChem CID 57336677) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(hydroxymethyl)pyridine-4-carbaldehyde
PubChem CID57336677
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-(hydroxymethyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(CO)c1
InChIInChI=1S/C7H7NO2/c9-4-6-1-2-8-7(3-6)5-10/h1-4,10H,5H2
InChIKeyAROPODFXRVGCPP-UHFFFAOYSA-N
XLogP0.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.39
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 2-(hydroxymethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(hydroxymethyl)pyridine-4-carbaldehyde (CID 57336677) is 2-(hydroxymethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(hydroxymethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(hydroxymethyl)pyridine-4-carbaldehyde is O=Cc1ccnc(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)pyridine-4-carbaldehyde?
The InChIKey is AROPODFXRVGCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-4-6-1-2-8-7(3-6)5-10/h1-4,10H,5H2.
What are the key properties of 2-(hydroxymethyl)pyridine-4-carbaldehyde?
2-(hydroxymethyl)pyridine-4-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 57336677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).