3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C8H6BrN3O2 — CID 74890109

IUPAC3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESNc1c[nH]c2c(C(=O)O)c(Br)cnc12
InChIInChI=1S/C8H6BrN3O2/c9-3-1-11-6-4(10)2-12-7(6)5(3)8(13)14/h1-2,12H,10H2,(H,13,14)
InChIKeyQYILNQBZRGUBOF-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.61
Rot. Bonds1

About 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 74890109) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID74890109
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESNc1c[nH]c2c(C(=O)O)c(Br)cnc12
InChIInChI=1S/C8H6BrN3O2/c9-3-1-11-6-4(10)2-12-7(6)5(3)8(13)14/h1-2,12H,10H2,(H,13,14)
InChIKeyQYILNQBZRGUBOF-UHFFFAOYSA-N
XLogP1.61
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-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 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 74890109) is 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is Nc1c[nH]c2c(C(=O)O)c(Br)cnc12.
What is the InChIKey of 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is QYILNQBZRGUBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-3-1-11-6-4(10)2-12-7(6)5(3)8(13)14/h1-2,12H,10H2,(H,13,14).
What are the key properties of 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 256.06 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 74890109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).