2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid

C14H12N2O4 — CID 62929037

IUPAC2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1nccn(C2CC2)c1=O
InChIInChI=1S/C14H12N2O4/c17-13-12(15-7-8-16(13)9-5-6-9)20-11-4-2-1-3-10(11)14(18)19/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyHSZXGTQKZMAWRL-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid

2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid (PubChem CID 62929037) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid
PubChem CID62929037
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1nccn(C2CC2)c1=O
InChIInChI=1S/C14H12N2O4/c17-13-12(15-7-8-16(13)9-5-6-9)20-11-4-2-1-3-10(11)14(18)19/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyHSZXGTQKZMAWRL-UHFFFAOYSA-N
XLogP2.07
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic 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-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid?
The IUPAC name of 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid (CID 62929037) is 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid.
What is the SMILES notation for 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid?
The canonical SMILES for 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid is O=C(O)c1ccccc1Oc1nccn(C2CC2)c1=O.
What is the InChIKey of 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid?
The InChIKey is HSZXGTQKZMAWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13-12(15-7-8-16(13)9-5-6-9)20-11-4-2-1-3-10(11)14(18)19/h1-4,7-9H,5-6H2,(H,18,19).
What are the key properties of 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid?
2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid is sourced from PubChem (CID 62929037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).