6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide

C9H6BrN3O2 — CID 175367606

IUPAC6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide
SMILESBr.N#Cc1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C9H5N3O2.BrH/c10-3-6-1-2-8-11-7(9(13)14)5-12(8)4-6;/h1-2,4-5H,(H,13,14);1H
InChIKeyBLLCKTPOQSWIIN-UHFFFAOYSA-N
MW268.07 g/mol
LogP1.48
Rot. Bonds1

About 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide

6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide (PubChem CID 175367606) has the molecular formula C9H6BrN3O2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide
PubChem CID175367606
Molecular FormulaC9H6BrN3O2
Molecular Weight268.07 g/mol
Exact Mass266.96
IUPAC Name6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide
SMILESBr.N#Cc1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C9H5N3O2.BrH/c10-3-6-1-2-8-11-7(9(13)14)5-12(8)4-6;/h1-2,4-5H,(H,13,14);1H
InChIKeyBLLCKTPOQSWIIN-UHFFFAOYSA-N
XLogP1.48
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide?
The IUPAC name of 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide (CID 175367606) is 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide.
What is the SMILES notation for 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide?
The canonical SMILES for 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide is Br.N#Cc1ccc2nc(C(=O)O)cn2c1.
What is the InChIKey of 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide?
The InChIKey is BLLCKTPOQSWIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2.BrH/c10-3-6-1-2-8-11-7(9(13)14)5-12(8)4-6;/h1-2,4-5H,(H,13,14);1H.
What are the key properties of 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide?
6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide has a molecular weight of 268.07 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide is sourced from PubChem (CID 175367606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).