1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid

C9H7BrN2O2 — CID 83844047

IUPAC1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1nc(Br)c2ccc(C(=O)O)cn12
InChIInChI=1S/C9H7BrN2O2/c1-5-11-8(10)7-3-2-6(9(13)14)4-12(5)7/h2-4H,1H3,(H,13,14)
InChIKeyMHJXYXIKMGSVOV-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.10
Rot. Bonds1

About 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid

1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 83844047) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID83844047
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1nc(Br)c2ccc(C(=O)O)cn12
InChIInChI=1S/C9H7BrN2O2/c1-5-11-8(10)7-3-2-6(9(13)14)4-12(5)7/h2-4H,1H3,(H,13,14)
InChIKeyMHJXYXIKMGSVOV-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

Imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 20887719
US10273222, Example 2
CID 86268883
2-(1-propyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 90406886
US10273222, Example 40
CID 90407318
US10273222, Example 42
CID 90407364
5-(2-Fluoro-4-iodophenylamino)-imidazo[1,5-a]pyridine-6-carboxylic acid
CID 59140186
2-Phenylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 352571
3-[6-Bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 71596168
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 1485634
3-(2-Phenylethyl)-3H-imidazo(4,5-b)pyridine-6-carboxylic acid
CID 76058

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid (CID 83844047) is 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid is Cc1nc(Br)c2ccc(C(=O)O)cn12.
What is the InChIKey of 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is MHJXYXIKMGSVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-5-11-8(10)7-3-2-6(9(13)14)4-12(5)7/h2-4H,1H3,(H,13,14).
What are the key properties of 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid?
1-bromo-3-methylimidazo[1,5-a]pyridine-6-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 1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83844047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).