3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid

C9H7BrN2O2 — CID 83693349

IUPAC3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)n2c1Br
InChIInChI=1S/C9H7BrN2O2/c1-5-8(10)12-6(9(13)14)3-2-4-7(12)11-5/h2-4H,1H3,(H,13,14)
InChIKeyWMLVUZPTWCSJQX-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.10
Rot. Bonds1

About 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid

3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 83693349) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID83693349
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)n2c1Br
InChIInChI=1S/C9H7BrN2O2/c1-5-8(10)12-6(9(13)14)3-2-4-7(12)11-5/h2-4H,1H3,(H,13,14)
InChIKeyWMLVUZPTWCSJQX-UHFFFAOYSA-N
XLogP2.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83834906
3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 56924061
5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130064939
ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 130113655
1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 134956703
5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid
CID 19609393
2-[5-(dimethylamino)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 83895658
1-(5-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 115018891
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83840388
1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250730
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine
CID 82060520

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid (CID 83693349) is 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid is Cc1nc2cccc(C(=O)O)n2c1Br.
What is the InChIKey of 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is WMLVUZPTWCSJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-5-8(10)12-6(9(13)14)3-2-4-7(12)11-5/h2-4H,1H3,(H,13,14).
What are the key properties of 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid?
3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 83693349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).