6-(2-hydroxypropyl)pyridine-3-carboxylic acid

C9H11NO3 — CID 68757151

IUPAC6-(2-hydroxypropyl)pyridine-3-carboxylic acid
SMILESCC(O)Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H11NO3/c1-6(11)4-8-3-2-7(5-10-8)9(12)13/h2-3,5-6,11H,4H2,1H3,(H,12,13)
InChIKeyLJUOKVRJSAEWAB-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.70
Rot. Bonds3

About 6-(2-hydroxypropyl)pyridine-3-carboxylic acid

6-(2-hydroxypropyl)pyridine-3-carboxylic acid (PubChem CID 68757151) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-(2-hydroxypropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxypropyl)pyridine-3-carboxylic acid
PubChem CID68757151
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name6-(2-hydroxypropyl)pyridine-3-carboxylic acid
SMILESCC(O)Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H11NO3/c1-6(11)4-8-3-2-7(5-10-8)9(12)13/h2-3,5-6,11H,4H2,1H3,(H,12,13)
InChIKeyLJUOKVRJSAEWAB-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

6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
6-benzylpyridine-3-carboxylic acid;1-(6-benzyl-3-pyridinyl)ethanone
CID 161401140
6-[[2-(2-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 112748720
6-(hydroxysulfanylmethyl)pyridine-3-carboxylic acid
CID 174194628
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
CID 103486126
6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335
tris(propane-1,2-diol);terephthalic acid
CID 70477156
6-aminopyridine-3-carboxylic acid;ethane
CID 142242146
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
ethane-1,1-diol;terephthalic acid
CID 68971815

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-hydroxypropyl)pyridine-3-carboxylic acid (CID 68757151) is 6-(2-hydroxypropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxypropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-hydroxypropyl)pyridine-3-carboxylic acid is CC(O)Cc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-hydroxypropyl)pyridine-3-carboxylic acid?
The InChIKey is LJUOKVRJSAEWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(11)4-8-3-2-7(5-10-8)9(12)13/h2-3,5-6,11H,4H2,1H3,(H,12,13).
What are the key properties of 6-(2-hydroxypropyl)pyridine-3-carboxylic acid?
6-(2-hydroxypropyl)pyridine-3-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 6-(2-hydroxypropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 68757151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).