5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C13H12BrFN2 — CID 58827231

IUPAC5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESFc1ccc(C2CCCc3cncn32)c(Br)c1
InChIInChI=1S/C13H12BrFN2/c14-12-6-9(15)4-5-11(12)13-3-1-2-10-7-16-8-17(10)13/h4-8,13H,1-3H2
InChIKeyIJHCKUWRTRVRTJ-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.71
Rot. Bonds1

About 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 58827231) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID58827231
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESFc1ccc(C2CCCc3cncn32)c(Br)c1
InChIInChI=1S/C13H12BrFN2/c14-12-6-9(15)4-5-11(12)13-3-1-2-10-7-16-8-17(10)13/h4-8,13H,1-3H2
InChIKeyIJHCKUWRTRVRTJ-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 58827231) is 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is Fc1ccc(C2CCCc3cncn32)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is IJHCKUWRTRVRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-12-6-9(15)4-5-11(12)13-3-1-2-10-7-16-8-17(10)13/h4-8,13H,1-3H2.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 295.16 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 58827231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).