1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid

C15H10BrFN2O2 — CID 84745466

IUPAC1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(Cc3ccc(F)cc3)nc(Br)c2c1
InChIInChI=1S/C15H10BrFN2O2/c16-14-12-8-10(15(20)21)5-6-19(12)13(18-14)7-9-1-3-11(17)4-2-9/h1-6,8H,7H2,(H,20,21)
InChIKeyOOMADLUDOBEJAC-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.52
Rot. Bonds3

About 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid

1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84745466) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84745466
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(Cc3ccc(F)cc3)nc(Br)c2c1
InChIInChI=1S/C15H10BrFN2O2/c16-14-12-8-10(15(20)21)5-6-19(12)13(18-14)7-9-1-3-11(17)4-2-9/h1-6,8H,7H2,(H,20,21)
InChIKeyOOMADLUDOBEJAC-UHFFFAOYSA-N
XLogP3.52
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 84744103
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678824
2-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 10644374
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251989
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744774
2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117254481
3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740260
3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740466
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744775
1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117252076
1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 84741781
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82380497

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid (CID 84745466) is 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(Cc3ccc(F)cc3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is OOMADLUDOBEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-14-12-8-10(15(20)21)5-6-19(12)13(18-14)7-9-1-3-11(17)4-2-9/h1-6,8H,7H2,(H,20,21).
What are the key properties of 1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid?
1-bromo-3-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 349.16 g/mol, XLogP of 3.52, 3 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)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84745466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).