3-(hydroxymethyl)pyridine-4-carboxylic acid

C7H7NO3 — CID 12758257

IUPAC3-(hydroxymethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1CO
InChIInChI=1S/C7H7NO3/c9-4-5-3-8-2-1-6(5)7(10)11/h1-3,9H,4H2,(H,10,11)
InChIKeyFTYBRTJVDQOITP-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.27
Rot. Bonds2

About 3-(hydroxymethyl)pyridine-4-carboxylic acid

3-(hydroxymethyl)pyridine-4-carboxylic acid (PubChem CID 12758257) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)pyridine-4-carboxylic acid
PubChem CID12758257
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name3-(hydroxymethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1CO
InChIInChI=1S/C7H7NO3/c9-4-5-3-8-2-1-6(5)7(10)11/h1-3,9H,4H2,(H,10,11)
InChIKeyFTYBRTJVDQOITP-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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Related Compounds

3-(2,2,2-trichloroethyl)pyridine-4-carboxylic acid
CID 56979701
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
CID 150942851
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-acetylpyridine-4-carboxylic acid
CID 19902844
4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53229197
1-amino-1-[3-(hydroxymethyl)-4-pyridinyl]propan-2-one
CID 130039547
(4-iodo-3-pyridinyl)methanol
CID 119092620
4-(2-iodoethyl)pyridine-3-carboxylic acid
CID 174800330
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
4-propylpyridine-3-carboxylic acid
CID 21413297

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)pyridine-4-carboxylic acid (CID 12758257) is 3-(hydroxymethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1CO.
What is the InChIKey of 3-(hydroxymethyl)pyridine-4-carboxylic acid?
The InChIKey is FTYBRTJVDQOITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-4-5-3-8-2-1-6(5)7(10)11/h1-3,9H,4H2,(H,10,11).
What are the key properties of 3-(hydroxymethyl)pyridine-4-carboxylic acid?
3-(hydroxymethyl)pyridine-4-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 3-(hydroxymethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 12758257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).