2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid

C15H11N3O5 — CID 134146352

IUPAC2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2cc(O)cc(O)c2)nc2cccnc21
InChIInChI=1S/C15H11N3O5/c19-9-4-8(5-10(20)6-9)13-15(23)18(7-12(21)22)14-11(17-13)2-1-3-16-14/h1-6,19-20H,7H2,(H,21,22)
InChIKeyBJRFYXDWCZLUDU-UHFFFAOYSA-N
MW313.27 g/mol
LogP0.95
Rot. Bonds3

About 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid

2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid (PubChem CID 134146352) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
PubChem CID134146352
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(-c2cc(O)cc(O)c2)nc2cccnc21
InChIInChI=1S/C15H11N3O5/c19-9-4-8(5-10(20)6-9)13-15(23)18(7-12(21)22)14-11(17-13)2-1-3-16-14/h1-6,19-20H,7H2,(H,21,22)
InChIKeyBJRFYXDWCZLUDU-UHFFFAOYSA-N
XLogP0.95
TPSA125.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic 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-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The IUPAC name of 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid (CID 134146352) is 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid is O=C(O)Cn1c(=O)c(-c2cc(O)cc(O)c2)nc2cccnc21.
What is the InChIKey of 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
The InChIKey is BJRFYXDWCZLUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-9-4-8(5-10(20)6-9)13-15(23)18(7-12(21)22)14-11(17-13)2-1-3-16-14/h1-6,19-20H,7H2,(H,21,22).
What are the key properties of 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid?
2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid has a molecular weight of 313.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid is sourced from PubChem (CID 134146352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).