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

C12H15NO4 — CID 115041971

IUPAC2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid
SMILESCOc1ncc(C2CCCCO2)cc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-16-11-9(12(14)15)6-8(7-13-11)10-4-2-3-5-17-10/h6-7,10H,2-5H2,1H3,(H,14,15)
InChIKeyDXWMWOGVSKYVAO-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.03
Rot. Bonds3

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

2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid (PubChem CID 115041971) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid
PubChem CID115041971
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid
SMILESCOc1ncc(C2CCCCO2)cc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-16-11-9(12(14)15)6-8(7-13-11)10-4-2-3-5-17-10/h6-7,10H,2-5H2,1H3,(H,14,15)
InChIKeyDXWMWOGVSKYVAO-UHFFFAOYSA-N
XLogP2.03
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115033808
[2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine
CID 115033402
2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid
CID 115041390
5-(oxan-2-yl)pyridine-3-carboxylic acid
CID 115025090
5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid
CID 145287553
5-(oxan-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 115033796
4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid
CID 165448964
6-methoxy-5-(oxolan-2-yl)pyridin-3-amine
CID 172992771
6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
CID 170633352
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid
CID 130735023

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid (CID 115041971) is 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid is COc1ncc(C2CCCCO2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is DXWMWOGVSKYVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-11-9(12(14)15)6-8(7-13-11)10-4-2-3-5-17-10/h6-7,10H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid?
2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115041971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).