2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid

C13H8N2O4 — CID 22612359

IUPAC2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Oc1ccc2ncoc2c1
InChIInChI=1S/C13H8N2O4/c16-13(17)9-2-1-5-14-12(9)19-8-3-4-10-11(6-8)18-7-15-10/h1-7H,(H,16,17)
InChIKeyJMPVAFNOXJBGAO-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.71
Rot. Bonds3

About 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid

2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid (PubChem CID 22612359) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid
PubChem CID22612359
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Oc1ccc2ncoc2c1
InChIInChI=1S/C13H8N2O4/c16-13(17)9-2-1-5-14-12(9)19-8-3-4-10-11(6-8)18-7-15-10/h1-7H,(H,16,17)
InChIKeyJMPVAFNOXJBGAO-UHFFFAOYSA-N
XLogP2.71
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid (CID 22612359) is 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Oc1ccc2ncoc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid?
The InChIKey is JMPVAFNOXJBGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-13(17)9-2-1-5-14-12(9)19-8-3-4-10-11(6-8)18-7-15-10/h1-7H,(H,16,17).
What are the key properties of 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid?
2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid has a molecular weight of 256.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 22612359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).