7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid

C8H4BrN3O2 — CID 2050115

IUPAC7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1nc2nccnc2cc1Br
InChIInChI=1S/C8H4BrN3O2/c9-4-3-5-7(11-2-1-10-5)12-6(4)8(13)14/h1-3H,(H,13,14)
InChIKeyGHRJGGQQZPMOHM-UHFFFAOYSA-N
MW254.04 g/mol
LogP1.49
Rot. Bonds1

About 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid

7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 2050115) has the molecular formula C8H4BrN3O2 and a molecular weight of 254.04 g/mol. Its IUPAC name is 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid
PubChem CID2050115
Molecular FormulaC8H4BrN3O2
Molecular Weight254.04 g/mol
Exact Mass252.95
IUPAC Name7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1nc2nccnc2cc1Br
InChIInChI=1S/C8H4BrN3O2/c9-4-3-5-7(11-2-1-10-5)12-6(4)8(13)14/h1-3H,(H,13,14)
InChIKeyGHRJGGQQZPMOHM-UHFFFAOYSA-N
XLogP1.49
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.04
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bromopyrido[2,3-b]pyrazine-6-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 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid (CID 2050115) is 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid is O=C(O)c1nc2nccnc2cc1Br.
What is the InChIKey of 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is GHRJGGQQZPMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3O2/c9-4-3-5-7(11-2-1-10-5)12-6(4)8(13)14/h1-3H,(H,13,14).
What are the key properties of 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid?
7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 254.04 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromopyrido[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 2050115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).