1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

C9H11BrN2O2 — CID 83678831

IUPAC1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1nc(Br)c2n1CCC(C(=O)O)C2
InChIInChI=1S/C9H11BrN2O2/c1-5-11-8(10)7-4-6(9(13)14)2-3-12(5)7/h6H,2-4H2,1H3,(H,13,14)
InChIKeyVUYGUIXCQRIKLC-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.60
Rot. Bonds1

About 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 83678831) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID83678831
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1nc(Br)c2n1CCC(C(=O)O)C2
InChIInChI=1S/C9H11BrN2O2/c1-5-11-8(10)7-4-6(9(13)14)2-3-12(5)7/h6H,2-4H2,1H3,(H,13,14)
InChIKeyVUYGUIXCQRIKLC-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 83678831) is 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is Cc1nc(Br)c2n1CCC(C(=O)O)C2.
What is the InChIKey of 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is VUYGUIXCQRIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-5-11-8(10)7-4-6(9(13)14)2-3-12(5)7/h6H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 259.10 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83678831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).