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

C9H7BrN2O2 — CID 83844029

IUPAC7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1nc(C(=O)O)c2cc(Br)ccn12
InChIInChI=1S/C9H7BrN2O2/c1-5-11-8(9(13)14)7-4-6(10)2-3-12(5)7/h2-4H,1H3,(H,13,14)
InChIKeyUZCVYHRPYYQLSA-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.10
Rot. Bonds1

About 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid

7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 83844029) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID83844029
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1nc(C(=O)O)c2cc(Br)ccn12
InChIInChI=1S/C9H7BrN2O2/c1-5-11-8(9(13)14)7-4-6(10)2-3-12(5)7/h2-4H,1H3,(H,13,14)
InChIKeyUZCVYHRPYYQLSA-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 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 83844029) is 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1nc(C(=O)O)c2cc(Br)ccn12.
What is the InChIKey of 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is UZCVYHRPYYQLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-5-11-8(9(13)14)7-4-6(10)2-3-12(5)7/h2-4H,1H3,(H,13,14).
What are the key properties of 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
7-bromo-3-methylimidazo[1,5-a]pyridine-1-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 7-bromo-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 83844029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).