6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid

C9H6N2O3 — CID 84662400

IUPAC6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccno2)nc1
InChIInChI=1S/C9H6N2O3/c12-9(13)6-1-2-7(10-5-6)8-3-4-11-14-8/h1-5H,(H,12,13)
InChIKeyDUDSSFHUSVZKIY-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.43
Rot. Bonds2

About 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid

6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid (PubChem CID 84662400) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid
PubChem CID84662400
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccno2)nc1
InChIInChI=1S/C9H6N2O3/c12-9(13)6-1-2-7(10-5-6)8-3-4-11-14-8/h1-5H,(H,12,13)
InChIKeyDUDSSFHUSVZKIY-UHFFFAOYSA-N
XLogP1.43
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid (CID 84662400) is 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccno2)nc1.
What is the InChIKey of 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid?
The InChIKey is DUDSSFHUSVZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9(13)6-1-2-7(10-5-6)8-3-4-11-14-8/h1-5H,(H,12,13).
What are the key properties of 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid?
6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 84662400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).