8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine

C16H11BrF3N3O — CID 167169507

IUPAC8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine
SMILESCCc1nc2c(Br)cccn2c1C(N=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H11BrF3N3O/c1-2-12-15(23-5-3-4-9(17)16(23)21-12)14(22-24)8-6-10(18)13(20)11(19)7-8/h3-7,14H,2H2,1H3
InChIKeyRBQOQAIETLFLNJ-UHFFFAOYSA-N
MW398.18 g/mol
LogP4.93
Rot. Bonds4

About 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine

8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 167169507) has the molecular formula C16H11BrF3N3O and a molecular weight of 398.18 g/mol. Its IUPAC name is 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID167169507
Molecular FormulaC16H11BrF3N3O
Molecular Weight398.18 g/mol
Exact Mass397.00
IUPAC Name8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine
SMILESCCc1nc2c(Br)cccn2c1C(N=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H11BrF3N3O/c1-2-12-15(23-5-3-4-9(17)16(23)21-12)14(22-24)8-6-10(18)13(20)11(19)7-8/h3-7,14H,2H2,1H3
InChIKeyRBQOQAIETLFLNJ-UHFFFAOYSA-N
XLogP4.93
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine (CID 167169507) is 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine is CCc1nc2c(Br)cccn2c1C(N=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is RBQOQAIETLFLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N3O/c1-2-12-15(23-5-3-4-9(17)16(23)21-12)14(22-24)8-6-10(18)13(20)11(19)7-8/h3-7,14H,2H2,1H3.
What are the key properties of 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine?
8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 398.18 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-ethyl-3-[nitroso-(3,4,5-trifluorophenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 167169507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).