1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

C12H17BrN2O2 — CID 117249923

IUPAC1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nc(Br)c2n1CCCC2C(=O)O
InChIInChI=1S/C12H17BrN2O2/c1-12(2,3)11-14-9(13)8-7(10(16)17)5-4-6-15(8)11/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyXOZXJWJFPHBXSU-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.91
Rot. Bonds1

About 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117249923) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117249923
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nc(Br)c2n1CCCC2C(=O)O
InChIInChI=1S/C12H17BrN2O2/c1-12(2,3)11-14-9(13)8-7(10(16)17)5-4-6-15(8)11/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyXOZXJWJFPHBXSU-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249922
1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117249934
1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 84611795
1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83830664
3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117152049
3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117249927
1-(1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)cyclopropan-1-amine
CID 83867576
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151946
1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249572
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
CID 146049793
2-(1-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117249561
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567773

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 117249923) is 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is CC(C)(C)c1nc(Br)c2n1CCCC2C(=O)O.
What is the InChIKey of 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is XOZXJWJFPHBXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-12(2,3)11-14-9(13)8-7(10(16)17)5-4-6-15(8)11/h7H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 301.18 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117249923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).