3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C13H12BrFN2 — CID 146644321

IUPAC3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESFc1cc(-c2ncc3n2CCCC3)ccc1Br
InChIInChI=1S/C13H12BrFN2/c14-11-5-4-9(7-12(11)15)13-16-8-10-3-1-2-6-17(10)13/h4-5,7-8H,1-3,6H2
InChIKeyKGMWAGNEBHHVDG-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.79
Rot. Bonds1

About 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 146644321) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID146644321
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESFc1cc(-c2ncc3n2CCCC3)ccc1Br
InChIInChI=1S/C13H12BrFN2/c14-11-5-4-9(7-12(11)15)13-16-8-10-3-1-2-6-17(10)13/h4-5,7-8H,1-3,6H2
InChIKeyKGMWAGNEBHHVDG-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 146644321) is 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is Fc1cc(-c2ncc3n2CCCC3)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is KGMWAGNEBHHVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-11-5-4-9(7-12(11)15)13-16-8-10-3-1-2-6-17(10)13/h4-5,7-8H,1-3,6H2.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 295.16 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 146644321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).