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

C11H13NO4 — CID 115033808

IUPAC2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
SMILESCOc1ncc(C2CCOC2)cc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-15-10-9(11(13)14)4-8(5-12-10)7-2-3-16-6-7/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeySLXJOUNOTGTACK-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.29
Rot. Bonds3

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

2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid (PubChem CID 115033808) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
PubChem CID115033808
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
SMILESCOc1ncc(C2CCOC2)cc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-15-10-9(11(13)14)4-8(5-12-10)7-2-3-16-6-7/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeySLXJOUNOTGTACK-UHFFFAOYSA-N
XLogP1.29
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115036379
2-methoxy-5-(oxan-2-yl)pyridine-3-carboxylic acid
CID 115041971
2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid
CID 115041390
3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid
CID 171365286
6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid
CID 170633420
6-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 175960371
1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone
CID 117376242
6-cyclopropylfuro[3,2-b]pyridine-3-carboxylic acid
CID 141444661
N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950
3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid
CID 130735023

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid (CID 115033808) is 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid is COc1ncc(C2CCOC2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid?
The InChIKey is SLXJOUNOTGTACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-10-9(11(13)14)4-8(5-12-10)7-2-3-16-6-7/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid?
2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115033808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).