3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid

C8H9NO4 — CID 6723

IUPAC3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
SMILESCc1ncc(CO)c(C(=O)O)c1O
InChIInChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
InChIKeyHXACOUQIXZGNBF-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.29
Rot. Bonds2

About 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid (PubChem CID 6723) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
PubChem CID6723
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
SMILESCc1ncc(CO)c(C(=O)O)c1O
InChIInChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
InChIKeyHXACOUQIXZGNBF-UHFFFAOYSA-N
XLogP0.29
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid?
The IUPAC name of 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid (CID 6723) is 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid is Cc1ncc(CO)c(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid?
The InChIKey is HXACOUQIXZGNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13).
What are the key properties of 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid?
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 6723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).