2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid

C18H12N2O3 — CID 87722167

IUPAC2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid
SMILESO=C(O)c1c(-c2cnccn2)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C18H12N2O3/c21-18(22)17-12(14-10-19-7-8-20-14)5-6-16-13(17)9-11-3-1-2-4-15(11)23-16/h1-8,10H,9H2,(H,21,22)
InChIKeyHIDNESBUZNSSHH-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.54
Rot. Bonds2

About 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid

2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid (PubChem CID 87722167) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid.

Molecular Properties

Compound Name2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid
PubChem CID87722167
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid
SMILESO=C(O)c1c(-c2cnccn2)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C18H12N2O3/c21-18(22)17-12(14-10-19-7-8-20-14)5-6-16-13(17)9-11-3-1-2-4-15(11)23-16/h1-8,10H,9H2,(H,21,22)
InChIKeyHIDNESBUZNSSHH-UHFFFAOYSA-N
XLogP3.54
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyrazin-2-yl-9H-xanthene-1-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-pyrazin-2-yl-9H-xanthene-1-carboxylic acid?
The IUPAC name of 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid (CID 87722167) is 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid.
What is the SMILES notation for 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid?
The canonical SMILES for 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid is O=C(O)c1c(-c2cnccn2)ccc2c1Cc1ccccc1O2.
What is the InChIKey of 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid?
The InChIKey is HIDNESBUZNSSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-18(22)17-12(14-10-19-7-8-20-14)5-6-16-13(17)9-11-3-1-2-4-15(11)23-16/h1-8,10H,9H2,(H,21,22).
What are the key properties of 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid?
2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-9H-xanthene-1-carboxylic acid is sourced from PubChem (CID 87722167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).