2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid

C9H5ClN2O3 — CID 88510664

IUPAC2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccc(Cl)nc2)n1
InChIInChI=1S/C9H5ClN2O3/c10-7-2-1-5(3-11-7)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
InChIKeyQGVQHKRVMOWELN-UHFFFAOYSA-N
MW224.60 g/mol
LogP2.09
Rot. Bonds2

About 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid

2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 88510664) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
PubChem CID88510664
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccc(Cl)nc2)n1
InChIInChI=1S/C9H5ClN2O3/c10-7-2-1-5(3-11-7)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
InChIKeyQGVQHKRVMOWELN-UHFFFAOYSA-N
XLogP2.09
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid (CID 88510664) is 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2ccc(Cl)nc2)n1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is QGVQHKRVMOWELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-7-2-1-5(3-11-7)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14).
What are the key properties of 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid?
2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 224.60 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 88510664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).