5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C13H13BrN2 — CID 14097196

IUPAC5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESBrc1ccc(C2CCCc3cncn32)cc1
InChIInChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2
InChIKeyCETYHXLCJBBAHU-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.57
Rot. Bonds1

About 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 14097196) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID14097196
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESBrc1ccc(C2CCCc3cncn32)cc1
InChIInChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2
InChIKeyCETYHXLCJBBAHU-UHFFFAOYSA-N
XLogP3.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 14097196) is 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is Brc1ccc(C2CCCc3cncn32)cc1.
What is the InChIKey of 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is CETYHXLCJBBAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2.
What are the key properties of 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 277.17 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 14097196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).