6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione

C14H9BrClFN2O2 — CID 139387371

IUPAC6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCN1C(=O)c2c(Cl)cc(Br)c(=O)n2C1c1cccc(F)c1
InChIInChI=1S/C14H9BrClFN2O2/c1-18-12(7-3-2-4-8(17)5-7)19-11(14(18)21)10(16)6-9(15)13(19)20/h2-6,12H,1H3
InChIKeyXIBRDSBUCPFPTF-UHFFFAOYSA-N
MW371.59 g/mol
LogP3.04
Rot. Bonds1

About 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione

6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 139387371) has the molecular formula C14H9BrClFN2O2 and a molecular weight of 371.59 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID139387371
Molecular FormulaC14H9BrClFN2O2
Molecular Weight371.59 g/mol
Exact Mass369.95
IUPAC Name6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCN1C(=O)c2c(Cl)cc(Br)c(=O)n2C1c1cccc(F)c1
InChIInChI=1S/C14H9BrClFN2O2/c1-18-12(7-3-2-4-8(17)5-7)19-11(14(18)21)10(16)6-9(15)13(19)20/h2-6,12H,1H3
InChIKeyXIBRDSBUCPFPTF-UHFFFAOYSA-N
XLogP3.04
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione (CID 139387371) is 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione is CN1C(=O)c2c(Cl)cc(Br)c(=O)n2C1c1cccc(F)c1.
What is the InChIKey of 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is XIBRDSBUCPFPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2O2/c1-18-12(7-3-2-4-8(17)5-7)19-11(14(18)21)10(16)6-9(15)13(19)20/h2-6,12H,1H3.
What are the key properties of 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 371.59 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-3-(3-fluorophenyl)-2-methyl-3H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 139387371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).