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

C9H7BrN2O2 — CID 12872599

IUPAC6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2ccc(Br)cn2c1C(=O)O
InChIInChI=1S/C9H7BrN2O2/c1-5-8(9(13)14)12-4-6(10)2-3-7(12)11-5/h2-4H,1H3,(H,13,14)
InChIKeyYFWHQHKBSQZSDF-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.10
Rot. Bonds1

About 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 12872599) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID12872599
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2ccc(Br)cn2c1C(=O)O
InChIInChI=1S/C9H7BrN2O2/c1-5-8(9(13)14)12-4-6(10)2-3-7(12)11-5/h2-4H,1H3,(H,13,14)
InChIKeyYFWHQHKBSQZSDF-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 12872599) is 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1nc2ccc(Br)cn2c1C(=O)O.
What is the InChIKey of 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is YFWHQHKBSQZSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-5-8(9(13)14)12-4-6(10)2-3-7(12)11-5/h2-4H,1H3,(H,13,14).
What are the key properties of 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
6-bromo-2-methylimidazo[1,2-a]pyridine-3-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 6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 12872599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).