2-(oxolan-3-yloxy)pyridine-4-carboxylic acid

C10H11NO4 — CID 63559237

IUPAC2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C10H11NO4/c12-10(13)7-1-3-11-9(5-7)15-8-2-4-14-6-8/h1,3,5,8H,2,4,6H2,(H,12,13)
InChIKeyYCDWONJBBVJNSS-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.95
Rot. Bonds3

About 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid

2-(oxolan-3-yloxy)pyridine-4-carboxylic acid (PubChem CID 63559237) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
PubChem CID63559237
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C10H11NO4/c12-10(13)7-1-3-11-9(5-7)15-8-2-4-14-6-8/h1,3,5,8H,2,4,6H2,(H,12,13)
InChIKeyYCDWONJBBVJNSS-UHFFFAOYSA-N
XLogP0.95
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid (CID 63559237) is 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid is O=C(O)c1ccnc(OC2CCOC2)c1.
What is the InChIKey of 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid?
The InChIKey is YCDWONJBBVJNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-10(13)7-1-3-11-9(5-7)15-8-2-4-14-6-8/h1,3,5,8H,2,4,6H2,(H,12,13).
What are the key properties of 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid?
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 63559237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).