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

C10H11NO4 — CID 63556832

IUPAC4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCOC2)ccn1
InChIInChI=1S/C10H11NO4/c12-10(13)9-5-7(1-3-11-9)15-8-2-4-14-6-8/h1,3,5,8H,2,4,6H2,(H,12,13)
InChIKeyGVQQJZKINVELKY-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.95
Rot. Bonds3

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

4-(oxolan-3-yloxy)pyridine-2-carboxylic acid (PubChem CID 63556832) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
PubChem CID63556832
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCOC2)ccn1
InChIInChI=1S/C10H11NO4/c12-10(13)9-5-7(1-3-11-9)15-8-2-4-14-6-8/h1,3,5,8H,2,4,6H2,(H,12,13)
InChIKeyGVQQJZKINVELKY-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 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid (CID 63556832) is 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid is O=C(O)c1cc(OC2CCOC2)ccn1.
What is the InChIKey of 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid?
The InChIKey is GVQQJZKINVELKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-10(13)9-5-7(1-3-11-9)15-8-2-4-14-6-8/h1,3,5,8H,2,4,6H2,(H,12,13).
What are the key properties of 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid?
4-(oxolan-3-yloxy)pyridine-2-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 4-(oxolan-3-yloxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 63556832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).