5-bromoisoquinoline-3-carboxylic acid

C10H6BrNO2 — CID 75355525

IUPAC5-bromoisoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(Br)cccc2cn1
InChIInChI=1S/C10H6BrNO2/c11-8-3-1-2-6-5-12-9(10(13)14)4-7(6)8/h1-5H,(H,13,14)
InChIKeyOHFMPRKHVXLOGG-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.70
Rot. Bonds1

About 5-bromoisoquinoline-3-carboxylic acid

5-bromoisoquinoline-3-carboxylic acid (PubChem CID 75355525) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 5-bromoisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-bromoisoquinoline-3-carboxylic acid
PubChem CID75355525
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name5-bromoisoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(Br)cccc2cn1
InChIInChI=1S/C10H6BrNO2/c11-8-3-1-2-6-5-12-9(10(13)14)4-7(6)8/h1-5H,(H,13,14)
InChIKeyOHFMPRKHVXLOGG-UHFFFAOYSA-N
XLogP2.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromoisoquinoline-3-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 5-bromoisoquinoline-3-carboxylic acid?
The IUPAC name of 5-bromoisoquinoline-3-carboxylic acid (CID 75355525) is 5-bromoisoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-bromoisoquinoline-3-carboxylic acid?
The canonical SMILES for 5-bromoisoquinoline-3-carboxylic acid is O=C(O)c1cc2c(Br)cccc2cn1.
What is the InChIKey of 5-bromoisoquinoline-3-carboxylic acid?
The InChIKey is OHFMPRKHVXLOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-8-3-1-2-6-5-12-9(10(13)14)4-7(6)8/h1-5H,(H,13,14).
What are the key properties of 5-bromoisoquinoline-3-carboxylic acid?
5-bromoisoquinoline-3-carboxylic acid has a molecular weight of 252.07 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoisoquinoline-3-carboxylic acid is sourced from PubChem (CID 75355525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).