3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid

C9H11NO3 — CID 175712799

IUPAC3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid
SMILESCC(C)(O)c1cnccc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-9(2,13)7-5-10-4-3-6(7)8(11)12/h3-5,13H,1-2H3,(H,11,12)
InChIKeyWPRNSKHIHGUJMF-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.01
Rot. Bonds2

About 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid

3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid (PubChem CID 175712799) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid
PubChem CID175712799
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid
SMILESCC(C)(O)c1cnccc1C(=O)O
InChIInChI=1S/C9H11NO3/c1-9(2,13)7-5-10-4-3-6(7)8(11)12/h3-5,13H,1-2H3,(H,11,12)
InChIKeyWPRNSKHIHGUJMF-UHFFFAOYSA-N
XLogP1.01
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-acetylpyridine-4-carboxylic acid
CID 19902844
2-(2-hydroxypropan-2-yl)terephthalic acid
CID 23192267
3-trimethylsilylpyridine-4-carboxylic acid
CID 14673408
2-(4-methoxy-3-pyridinyl)propan-2-ol
CID 115009163
3-methyliodanuidylpyridine-4-carboxylic acid
CID 148860741
ethane;2-(3-methyl-4-pyridinyl)propan-2-ol
CID 145265708
3-(1-sulfanylpropan-2-yl)pyridine-4-carboxylic acid
CID 135296132
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid (CID 175712799) is 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid is CC(C)(O)c1cnccc1C(=O)O.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid?
The InChIKey is WPRNSKHIHGUJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-9(2,13)7-5-10-4-3-6(7)8(11)12/h3-5,13H,1-2H3,(H,11,12).
What are the key properties of 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid?
3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 175712799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).