3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid

C8H6BrN3O2 — CID 82528975

IUPAC3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)nc2c(Br)cccn12
InChIInChI=1S/C8H6BrN3O2/c9-4-2-1-3-12-6(10)5(8(13)14)11-7(4)12/h1-3H,10H2,(H,13,14)
InChIKeyRLWMPGVUJPSGEV-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.38
Rot. Bonds1

About 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid

3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82528975) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82528975
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)nc2c(Br)cccn12
InChIInChI=1S/C8H6BrN3O2/c9-4-2-1-3-12-6(10)5(8(13)14)11-7(4)12/h1-3H,10H2,(H,13,14)
InChIKeyRLWMPGVUJPSGEV-UHFFFAOYSA-N
XLogP1.38
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid (CID 82528975) is 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid is Nc1c(C(=O)O)nc2c(Br)cccn12.
What is the InChIKey of 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is RLWMPGVUJPSGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-4-2-1-3-12-6(10)5(8(13)14)11-7(4)12/h1-3H,10H2,(H,13,14).
What are the key properties of 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid?
3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 256.06 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82528975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).