8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C16H13BrN2O2 — CID 84745293

IUPAC8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CCc2ccccc2)n2cccc(Br)c12
InChIInChI=1S/C16H13BrN2O2/c17-12-7-4-10-19-13(18-14(15(12)19)16(20)21)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,20,21)
InChIKeyFBZUCJCCYRTPKG-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.58
Rot. Bonds4

About 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84745293) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84745293
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CCc2ccccc2)n2cccc(Br)c12
InChIInChI=1S/C16H13BrN2O2/c17-12-7-4-10-19-13(18-14(15(12)19)16(20)21)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,20,21)
InChIKeyFBZUCJCCYRTPKG-UHFFFAOYSA-N
XLogP3.58
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254555
8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254990
3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252385
3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252400
8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744258
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108
3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254893
methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117255037
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 84745293) is 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CCc2ccccc2)n2cccc(Br)c12.
What is the InChIKey of 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FBZUCJCCYRTPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-12-7-4-10-19-13(18-14(15(12)19)16(20)21)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,20,21).
What are the key properties of 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 345.20 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84745293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).