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

C8H8BrF3N2 — CID 116984679

IUPAC1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESFC(F)(F)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C8H8BrF3N2/c9-6-5-3-1-2-4-14(5)7(13-6)8(10,11)12/h1-4H2
InChIKeyNXCNRSZASQUUOD-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.00
Rot. Bonds

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

1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 116984679) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID116984679
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESFC(F)(F)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C8H8BrF3N2/c9-6-5-3-1-2-4-14(5)7(13-6)8(10,11)12/h1-4H2
InChIKeyNXCNRSZASQUUOD-UHFFFAOYSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 23084290
1-bromo-5H,6H,7H,8H-imidazo(1,5-a)pyridine
CID 83880836
1-bromo-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 178121964
1-(2-Bromo-3,3,3-trifluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 81936650
8-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-amine
CID 83865388
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-amine
CID 83865391
7-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-amine
CID 83865438
6-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-amine
CID 83865473
5-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-amine
CID 83865508
1-Bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116984683
1-bromo-3-(difluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyridine
CID 137938232
3-bromo-2-(difluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridine
CID 137938233

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 116984679) is 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is FC(F)(F)c1nc(Br)c2n1CCCC2.
What is the InChIKey of 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is NXCNRSZASQUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c9-6-5-3-1-2-4-14(5)7(13-6)8(10,11)12/h1-4H2.
What are the key properties of 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 269.06 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 116984679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).