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

C8H5BrN2O2 — CID 57415878

IUPAC3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(Br)cnc12
InChIInChI=1S/C8H5BrN2O2/c9-6-4-10-7-5(8(12)13)2-1-3-11(6)7/h1-4H,(H,12,13)
InChIKeyZXMYLMDOAKZVIA-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.79
Rot. Bonds1

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

3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 57415878) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID57415878
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(Br)cnc12
InChIInChI=1S/C8H5BrN2O2/c9-6-4-10-7-5(8(12)13)2-1-3-11(6)7/h1-4H,(H,12,13)
InChIKeyZXMYLMDOAKZVIA-UHFFFAOYSA-N
XLogP1.79
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
(1,2,3,4)Tetrazolo(1,5-a)pyridine-8-carboxylic acid
CID 346464
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
2-(2,5-Dimethylpyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653569
Imidazo[1,2-a]pyridine-7-carboxylic acid
CID 18364844
[1,2,4]Triazolo[1,5-a]pyridine-6-carboxylic acid
CID 23438842
3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 27375767
1-Methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 40059462
(1,2,3,4)Tetrazolo(1,5-a)pyridine-6-carboxylic acid
CID 346463
2,8-Dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
2-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653570
2-[(6-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4225516

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid (CID 57415878) is 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(Br)cnc12.
What is the InChIKey of 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is ZXMYLMDOAKZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-6-4-10-7-5(8(12)13)2-1-3-11(6)7/h1-4H,(H,12,13).
What are the key properties of 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid?
3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 241.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 57415878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).