6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine

C11H12BrFN2O — CID 68652935

IUPAC6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine
SMILESCOCCCc1cnc2c(F)cc(Br)cn12
InChIInChI=1S/C11H12BrFN2O/c1-16-4-2-3-9-6-14-11-10(13)5-8(12)7-15(9)11/h5-7H,2-4H2,1H3
InChIKeyPZCMYAPZZZHHTD-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.81
Rot. Bonds4

About 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine

6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine (PubChem CID 68652935) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine
PubChem CID68652935
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine
SMILESCOCCCc1cnc2c(F)cc(Br)cn12
InChIInChI=1S/C11H12BrFN2O/c1-16-4-2-3-9-6-14-11-10(13)5-8(12)7-15(9)11/h5-7H,2-4H2,1H3
InChIKeyPZCMYAPZZZHHTD-UHFFFAOYSA-N
XLogP2.81
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine (CID 68652935) is 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine is COCCCc1cnc2c(F)cc(Br)cn12.
What is the InChIKey of 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine?
The InChIKey is PZCMYAPZZZHHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-16-4-2-3-9-6-14-11-10(13)5-8(12)7-15(9)11/h5-7H,2-4H2,1H3.
What are the key properties of 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine?
6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine has a molecular weight of 287.13 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-3-(3-methoxypropyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 68652935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).