ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate

C16H13BrN2O2 — CID 154719905

IUPACethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Br)cc2)n2ccccc12
InChIInChI=1S/C16H13BrN2O2/c1-2-21-16(20)14-13-5-3-4-10-19(13)15(18-14)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3
InChIKeyDBTDZODJKGGNNT-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.94
Rot. Bonds3

About ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate

ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 154719905) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID154719905
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Nameethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Br)cc2)n2ccccc12
InChIInChI=1S/C16H13BrN2O2/c1-2-21-16(20)14-13-5-3-4-10-19(13)15(18-14)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3
InChIKeyDBTDZODJKGGNNT-UHFFFAOYSA-N
XLogP3.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
[2-(4-Methylphenyl)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 3529980
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
Ethyl 16-bromo-11-methyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
CID 10222545
Ethyl 5-phenyl-imidazo(1,5-a)quinoline-3-carboxylate
CID 14460559
Ethyl 16-bromo-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
CID 45486856
Benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 57384112
Ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473605
Imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
CID 2999528

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 154719905) is ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate is CCOC(=O)c1nc(-c2ccc(Br)cc2)n2ccccc12.
What is the InChIKey of ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is DBTDZODJKGGNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-2-21-16(20)14-13-5-3-4-10-19(13)15(18-14)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 345.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 154719905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).