6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C14H8BrFN2O2 — CID 84745078

IUPAC6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(F)c2)n2cc(Br)ccc12
InChIInChI=1S/C14H8BrFN2O2/c15-9-4-5-11-12(14(19)20)17-13(18(11)7-9)8-2-1-3-10(16)6-8/h1-7H,(H,19,20)
InChIKeyBKICQHGRXWFILB-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.60
Rot. Bonds2

About 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84745078) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84745078
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(F)c2)n2cc(Br)ccc12
InChIInChI=1S/C14H8BrFN2O2/c15-9-4-5-11-12(14(19)20)17-13(18(11)7-9)8-2-1-3-10(16)6-8/h1-7H,(H,19,20)
InChIKeyBKICQHGRXWFILB-UHFFFAOYSA-N
XLogP3.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251336
5-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250700
6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744921
3-(4-fluorophenyl)-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251462
6-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743542
6-bromo-3-(3-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 114835239
6-bromo-1-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 82380854
7-bromo-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744919
6-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745099
3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
CID 46313709
3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158432
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 84745078) is 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(-c2cccc(F)c2)n2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is BKICQHGRXWFILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-9-4-5-11-12(14(19)20)17-13(18(11)7-9)8-2-1-3-10(16)6-8/h1-7H,(H,19,20).
What are the key properties of 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 335.13 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84745078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).