1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

C15H15BrN2O2 — CID 84610273

IUPAC1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1ccc(Br)cc1-c1ncn2c1CC(C(=O)O)CC2
InChIInChI=1S/C15H15BrN2O2/c1-9-2-3-11(16)7-12(9)14-13-6-10(15(19)20)4-5-18(13)8-17-14/h2-3,7-8,10H,4-6H2,1H3,(H,19,20)
InChIKeyMOALQFMIJOJPPM-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.27
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84610273) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84610273
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1ccc(Br)cc1-c1ncn2c1CC(C(=O)O)CC2
InChIInChI=1S/C15H15BrN2O2/c1-9-2-3-11(16)7-12(9)14-13-6-10(15(19)20)4-5-18(13)8-17-14/h2-3,7-8,10H,4-6H2,1H3,(H,19,20)
InChIKeyMOALQFMIJOJPPM-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid with MolForge

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Related Compounds

1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 84611799
3-bromo-1-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84610277
1-(5-bromo-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031826
1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 84604244
2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
CID 126796985
1-(4-bromo-2-methylphenyl)piperidine-3-carboxylic acid
CID 117008239
2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 83966376
4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
CID 116899778
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837745
2-[4-(5-bromo-2-methylphenyl)-1,5-dimethylpyrazol-3-yl]acetic acid
CID 84605488
methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249222

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 84610273) is 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is Cc1ccc(Br)cc1-c1ncn2c1CC(C(=O)O)CC2.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is MOALQFMIJOJPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-2-3-11(16)7-12(9)14-13-6-10(15(19)20)4-5-18(13)8-17-14/h2-3,7-8,10H,4-6H2,1H3,(H,19,20).
What are the key properties of 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84610273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).