ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate

C17H14BrFN2O2 — CID 67036441

IUPACethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cc(CBr)ccn2c1-c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2O2/c1-2-23-17(22)15-16(12-3-5-13(19)6-4-12)21-8-7-11(10-18)9-14(21)20-15/h3-9H,2,10H2,1H3
InChIKeyCBVURCDPFVZJMT-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.21
Rot. Bonds4

About ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 67036441) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID67036441
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Nameethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cc(CBr)ccn2c1-c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2O2/c1-2-23-17(22)15-16(12-3-5-13(19)6-4-12)21-8-7-11(10-18)9-14(21)20-15/h3-9H,2,10H2,1H3
InChIKeyCBVURCDPFVZJMT-UHFFFAOYSA-N
XLogP4.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 67036441) is ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2cc(CBr)ccn2c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CBVURCDPFVZJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c1-2-23-17(22)15-16(12-3-5-13(19)6-4-12)21-8-7-11(10-18)9-14(21)20-15/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 377.21 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(bromomethyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 67036441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).