3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride

C8H10ClNO3 — CID 6171

IUPAC3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride
SMILESCc1ncc(CO)c(C=O)c1O.Cl
InChIInChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H
InChIKeyFCHXJFJNDJXENQ-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.82
Rot. Bonds2

About 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride (PubChem CID 6171) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride
PubChem CID6171
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride
SMILESCc1ncc(CO)c(C=O)c1O.Cl
InChIInChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H
InChIKeyFCHXJFJNDJXENQ-UHFFFAOYSA-N
XLogP0.82
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride?
The IUPAC name of 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride (CID 6171) is 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride.
What is the SMILES notation for 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride?
The canonical SMILES for 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride is Cc1ncc(CO)c(C=O)c1O.Cl.
What is the InChIKey of 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride?
The InChIKey is FCHXJFJNDJXENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H.
What are the key properties of 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride?
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride has a molecular weight of 203.62 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 6171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).