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

C14H12BrFN2O2 — CID 84611795

IUPAC1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c(-c3ccc(F)cc3)nc(Br)c21
InChIInChI=1S/C14H12BrFN2O2/c15-12-11-10(14(19)20)2-1-7-18(11)13(17-12)8-3-5-9(16)6-4-8/h3-6,10H,1-2,7H2,(H,19,20)
InChIKeyQQQZZOGIHCAWRT-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.41
Rot. Bonds2

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

1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 84611795) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID84611795
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c(-c3ccc(F)cc3)nc(Br)c21
InChIInChI=1S/C14H12BrFN2O2/c15-12-11-10(14(19)20)2-1-7-18(11)13(17-12)8-3-5-9(16)6-4-8/h3-6,10H,1-2,7H2,(H,19,20)
InChIKeyQQQZZOGIHCAWRT-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 137005536
1-chloro-3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249947
3-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117152041
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152080
8-amino-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250114
8-hydroxy-3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005540
3-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250135
3-bromo-1-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84611804
3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117249982
1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 115058211
3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117249927
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122058968

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 84611795) is 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)C1CCCn2c(-c3ccc(F)cc3)nc(Br)c21.
What is the InChIKey of 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is QQQZZOGIHCAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-12-11-10(14(19)20)2-1-7-18(11)13(17-12)8-3-5-9(16)6-4-8/h3-6,10H,1-2,7H2,(H,19,20).
What are the key properties of 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 339.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 84611795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).