2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile

C15H9BrFN3O — CID 107087798

IUPAC2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc2ccccn2c1CBr
InChIInChI=1S/C15H9BrFN3O/c16-8-12-15(19-14-6-1-2-7-20(12)14)21-13-5-3-4-11(17)10(13)9-18/h1-7H,8H2
InChIKeyYSJPVAZYOGIBLW-UHFFFAOYSA-N
MW346.16 g/mol
LogP4.03
Rot. Bonds3

About 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile

2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile (PubChem CID 107087798) has the molecular formula C15H9BrFN3O and a molecular weight of 346.16 g/mol. Its IUPAC name is 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile
PubChem CID107087798
Molecular FormulaC15H9BrFN3O
Molecular Weight346.16 g/mol
Exact Mass344.99
IUPAC Name2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc2ccccn2c1CBr
InChIInChI=1S/C15H9BrFN3O/c16-8-12-15(19-14-6-1-2-7-20(12)14)21-13-5-3-4-11(17)10(13)9-18/h1-7H,8H2
InChIKeyYSJPVAZYOGIBLW-UHFFFAOYSA-N
XLogP4.03
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478529
3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine
CID 107088563
3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087014
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
CID 107284968
1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63269750
3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087710
2-(5-bromo-2-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 114674035
2-[2-(2-chlorophenoxy)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63803095
2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 107100284
[2-(2-bromo-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478652
2-[2-(2-fluoro-5-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 64855924
[2-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478692

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile?
The IUPAC name of 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile (CID 107087798) is 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1nc2ccccn2c1CBr.
What is the InChIKey of 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile?
The InChIKey is YSJPVAZYOGIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3O/c16-8-12-15(19-14-6-1-2-7-20(12)14)21-13-5-3-4-11(17)10(13)9-18/h1-7H,8H2.
What are the key properties of 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile?
2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile has a molecular weight of 346.16 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile is sourced from PubChem (CID 107087798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).