methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate

C16H12BrFN2O2 — CID 58324521

IUPACmethyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cncn2c1Cc1ccc(Br)cc1F
InChIInChI=1S/C16H12BrFN2O2/c1-22-16(21)13-5-4-12-8-19-9-20(12)15(13)6-10-2-3-11(17)7-14(10)18/h2-5,7-9H,6H2,1H3
InChIKeyQVJAQNCQSJYORP-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.61
Rot. Bonds3

About methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate

methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 58324521) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
PubChem CID58324521
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Namemethyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cncn2c1Cc1ccc(Br)cc1F
InChIInChI=1S/C16H12BrFN2O2/c1-22-16(21)13-5-4-12-8-19-9-20(12)15(13)6-10-2-3-11(17)7-14(10)18/h2-5,7-9H,6H2,1H3
InChIKeyQVJAQNCQSJYORP-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324526
(4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate
CID 161186982
1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyrazin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324535
methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360839
1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324543
5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 59140163
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
methyl 2-(2-aminoethyl)-5-bromobenzoate
CID 44828922
methyl 2-(aminomethyl)-5-bromobenzoate
CID 44828923
magnesium;ethane;methane;methyl 4-bromo-2-fluorobenzoate;methyl 4-ethyl-2-fluorobenzoate;bromide
CID 159482237
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
2-[(4-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 58368273

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate (CID 58324521) is methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2cncn2c1Cc1ccc(Br)cc1F.
What is the InChIKey of methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is QVJAQNCQSJYORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-22-16(21)13-5-4-12-8-19-9-20(12)15(13)6-10-2-3-11(17)7-14(10)18/h2-5,7-9H,6H2,1H3.
What are the key properties of methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate?
methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 363.19 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 58324521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).