3-(2-hydroxypropyl)pyridine-4-carboxylic acid

C9H11NO3 — CID 165349315

IUPAC3-(2-hydroxypropyl)pyridine-4-carboxylic acid
SMILESCC(O)Cc1cnccc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-6(11)4-7-5-10-3-2-8(7)9(12)13/h2-3,5-6,11H,4H2,1H3,(H,12,13)
InChIKeyLVUGLOKYLQCHHV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.70
Rot. Bonds3

About 3-(2-hydroxypropyl)pyridine-4-carboxylic acid

3-(2-hydroxypropyl)pyridine-4-carboxylic acid (PubChem CID 165349315) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxypropyl)pyridine-4-carboxylic acid
PubChem CID165349315
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(2-hydroxypropyl)pyridine-4-carboxylic acid
SMILESCC(O)Cc1cnccc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-6(11)4-7-5-10-3-2-8(7)9(12)13/h2-3,5-6,11H,4H2,1H3,(H,12,13)
InChIKeyLVUGLOKYLQCHHV-UHFFFAOYSA-N
XLogP0.70
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxypropyl)pyridine-4-carboxamide
CID 174772458
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
3-(2,2,2-trichloroethyl)pyridine-4-carboxylic acid
CID 56979701
3-(1-sulfanylpropan-2-yl)pyridine-4-carboxylic acid
CID 135296132
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
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
2-[(2S)-2-[carboxy(pyridin-4-ylmethyl)amino]propyl]benzoic acid
CID 67083610
3-acetylpyridine-4-carboxylic acid
CID 19902844
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-hydroxypropyl)pyridine-4-carboxylic acid (CID 165349315) is 3-(2-hydroxypropyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxypropyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-hydroxypropyl)pyridine-4-carboxylic acid is CC(O)Cc1cnccc1C(=O)O.
What is the InChIKey of 3-(2-hydroxypropyl)pyridine-4-carboxylic acid?
The InChIKey is LVUGLOKYLQCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(11)4-7-5-10-3-2-8(7)9(12)13/h2-3,5-6,11H,4H2,1H3,(H,12,13).
What are the key properties of 3-(2-hydroxypropyl)pyridine-4-carboxylic acid?
3-(2-hydroxypropyl)pyridine-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 165349315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).