ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate

C16H14BrFN2O2 — CID 67963127

IUPACethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(c2ccc(F)cc2)N=C2C=CC(Br)=CN21
InChIInChI=1S/C16H14BrFN2O2/c1-2-22-16(21)15-14(10-3-6-12(18)7-4-10)19-13-8-5-11(17)9-20(13)15/h3-9,14-15H,2H2,1H3
InChIKeyYEVLKIOVIDCQLC-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.32
Rot. Bonds3

About ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 67963127) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID67963127
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC Nameethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)C1C(c2ccc(F)cc2)N=C2C=CC(Br)=CN21
InChIInChI=1S/C16H14BrFN2O2/c1-2-22-16(21)15-14(10-3-6-12(18)7-4-10)19-13-8-5-11(17)9-20(13)15/h3-9,14-15H,2H2,1H3
InChIKeyYEVLKIOVIDCQLC-UHFFFAOYSA-N
XLogP3.32
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate (CID 67963127) is ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)C1C(c2ccc(F)cc2)N=C2C=CC(Br)=CN21.
What is the InChIKey of ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is YEVLKIOVIDCQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-2-22-16(21)15-14(10-3-6-12(18)7-4-10)19-13-8-5-11(17)9-20(13)15/h3-9,14-15H,2H2,1H3.
What are the key properties of ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 365.20 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 67963127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).