6-(hydroxymethyl)pyridine-3-carboxylic acid

C7H7NO3 — CID 14722130

IUPAC6-(hydroxymethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CO)nc1
InChIInChI=1S/C7H7NO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9H,4H2,(H,10,11)
InChIKeyHJDYJONTIWRYOB-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.27
Rot. Bonds2

About 6-(hydroxymethyl)pyridine-3-carboxylic acid

6-(hydroxymethyl)pyridine-3-carboxylic acid (PubChem CID 14722130) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-(hydroxymethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(hydroxymethyl)pyridine-3-carboxylic acid
PubChem CID14722130
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name6-(hydroxymethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CO)nc1
InChIInChI=1S/C7H7NO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9H,4H2,(H,10,11)
InChIKeyHJDYJONTIWRYOB-UHFFFAOYSA-N
XLogP0.27
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(hydroxymethyl)pyridine-3-carboxylic acid (CID 14722130) is 6-(hydroxymethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(hydroxymethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(hydroxymethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(CO)nc1.
What is the InChIKey of 6-(hydroxymethyl)pyridine-3-carboxylic acid?
The InChIKey is HJDYJONTIWRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9H,4H2,(H,10,11).
What are the key properties of 6-(hydroxymethyl)pyridine-3-carboxylic acid?
6-(hydroxymethyl)pyridine-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 14722130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).