5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid

C13H11NO3 — CID 53222723

IUPAC5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccccc2CO)c1
InChIInChI=1S/C13H11NO3/c15-8-9-3-1-2-4-12(9)10-5-11(13(16)17)7-14-6-10/h1-7,15H,8H2,(H,16,17)
InChIKeyHVJZQUVDOJOONM-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.94
Rot. Bonds3

About 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid

5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53222723) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53222723
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccccc2CO)c1
InChIInChI=1S/C13H11NO3/c15-8-9-3-1-2-4-12(9)10-5-11(13(16)17)7-14-6-10/h1-7,15H,8H2,(H,16,17)
InChIKeyHVJZQUVDOJOONM-UHFFFAOYSA-N
XLogP1.94
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid (CID 53222723) is 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2ccccc2CO)c1.
What is the InChIKey of 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is HVJZQUVDOJOONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-8-9-3-1-2-4-12(9)10-5-11(13(16)17)7-14-6-10/h1-7,15H,8H2,(H,16,17).
What are the key properties of 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid?
5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53222723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).