7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine

C16H13BrF2N2O2 — CID 174363759

IUPAC7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3cc(Br)ccn23)cc(OC(F)F)c1C
InChIInChI=1S/C16H13BrF2N2O2/c1-9-13(22-2)5-10(6-14(9)23-16(18)19)12-8-20-15-7-11(17)3-4-21(12)15/h3-8,16H,1-2H3
InChIKeyZTHVWTSCSOSNEZ-UHFFFAOYSA-N
MW383.19 g/mol
LogP4.68
Rot. Bonds4

About 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine

7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine (PubChem CID 174363759) has the molecular formula C16H13BrF2N2O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
PubChem CID174363759
Molecular FormulaC16H13BrF2N2O2
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Name7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3cc(Br)ccn23)cc(OC(F)F)c1C
InChIInChI=1S/C16H13BrF2N2O2/c1-9-13(22-2)5-10(6-14(9)23-16(18)19)12-8-20-15-7-11(17)3-4-21(12)15/h3-8,16H,1-2H3
InChIKeyZTHVWTSCSOSNEZ-UHFFFAOYSA-N
XLogP4.68
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine (CID 174363759) is 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine is COc1cc(-c2cnc3cc(Br)ccn23)cc(OC(F)F)c1C.
What is the InChIKey of 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine?
The InChIKey is ZTHVWTSCSOSNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O2/c1-9-13(22-2)5-10(6-14(9)23-16(18)19)12-8-20-15-7-11(17)3-4-21(12)15/h3-8,16H,1-2H3.
What are the key properties of 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine?
7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine has a molecular weight of 383.19 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 174363759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).