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

C9H11NO3 — CID 122637031

IUPAC6-(2-hydroxypropyl)pyridine-2-carboxylic acid
SMILESCC(O)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C9H11NO3/c1-6(11)5-7-3-2-4-8(10-7)9(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeySWPORTOCOYPJBD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.70
Rot. Bonds3

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

6-(2-hydroxypropyl)pyridine-2-carboxylic acid (PubChem CID 122637031) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-(2-hydroxypropyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxypropyl)pyridine-2-carboxylic acid
PubChem CID122637031
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name6-(2-hydroxypropyl)pyridine-2-carboxylic acid
SMILESCC(O)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C9H11NO3/c1-6(11)5-7-3-2-4-8(10-7)9(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeySWPORTOCOYPJBD-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-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-(3-hydroxybutan-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 107770120
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
CID 106904908
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
6-(2,3-dihydroxypropylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106903570
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
CID 91986542
CID 91986542
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904538

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-hydroxypropyl)pyridine-2-carboxylic acid (CID 122637031) is 6-(2-hydroxypropyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxypropyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-hydroxypropyl)pyridine-2-carboxylic acid is CC(O)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-hydroxypropyl)pyridine-2-carboxylic acid?
The InChIKey is SWPORTOCOYPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(11)5-7-3-2-4-8(10-7)9(12)13/h2-4,6,11H,5H2,1H3,(H,12,13).
What are the key properties of 6-(2-hydroxypropyl)pyridine-2-carboxylic acid?
6-(2-hydroxypropyl)pyridine-2-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-2-carboxylic acid is sourced from PubChem (CID 122637031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).