5-(oxan-2-yl)pyridine-3-carboxylic acid

C11H13NO3 — CID 115025090

IUPAC5-(oxan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C2CCCCO2)c1
InChIInChI=1S/C11H13NO3/c13-11(14)9-5-8(6-12-7-9)10-3-1-2-4-15-10/h5-7,10H,1-4H2,(H,13,14)
InChIKeyOXZBGHIIXFIHIS-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.02
Rot. Bonds2

About 5-(oxan-2-yl)pyridine-3-carboxylic acid

5-(oxan-2-yl)pyridine-3-carboxylic acid (PubChem CID 115025090) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(oxan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(oxan-2-yl)pyridine-3-carboxylic acid
PubChem CID115025090
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-(oxan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C2CCCCO2)c1
InChIInChI=1S/C11H13NO3/c13-11(14)9-5-8(6-12-7-9)10-3-1-2-4-15-10/h5-7,10H,1-4H2,(H,13,14)
InChIKeyOXZBGHIIXFIHIS-UHFFFAOYSA-N
XLogP2.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid
CID 115041971
5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid
CID 115032031
5-(thian-4-yl)pyridine-3-carboxylic acid
CID 115034062
5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid
CID 145287553
5-(1,3-dithiolan-2-yl)pyridine-3-carboxylic acid
CID 102544048
5-(oxan-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 115033796
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
2-(oxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134338
4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 58508839
4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid
CID 165448964

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(oxan-2-yl)pyridine-3-carboxylic acid (CID 115025090) is 5-(oxan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(oxan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(oxan-2-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(C2CCCCO2)c1.
What is the InChIKey of 5-(oxan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is OXZBGHIIXFIHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(14)9-5-8(6-12-7-9)10-3-1-2-4-15-10/h5-7,10H,1-4H2,(H,13,14).
What are the key properties of 5-(oxan-2-yl)pyridine-3-carboxylic acid?
5-(oxan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115025090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).