ethyl 2-(4-bromophenyl)indolizine-1-carboxylate

C17H14BrNO2 — CID 2763725

IUPACethyl 2-(4-bromophenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Br)cc2)cn2ccccc12
InChIInChI=1S/C17H14BrNO2/c1-2-21-17(20)16-14(12-6-8-13(18)9-7-12)11-19-10-4-3-5-15(16)19/h3-11H,2H2,1H3
InChIKeyKUSFLFNCMBHEDY-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.55
Rot. Bonds3

About ethyl 2-(4-bromophenyl)indolizine-1-carboxylate

ethyl 2-(4-bromophenyl)indolizine-1-carboxylate (PubChem CID 2763725) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)indolizine-1-carboxylate
PubChem CID2763725
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Nameethyl 2-(4-bromophenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Br)cc2)cn2ccccc12
InChIInChI=1S/C17H14BrNO2/c1-2-21-17(20)16-14(12-6-8-13(18)9-7-12)11-19-10-4-3-5-15(16)19/h3-11H,2H2,1H3
InChIKeyKUSFLFNCMBHEDY-UHFFFAOYSA-N
XLogP4.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chlorophenyl)indolizine-1-carboxylate
CID 122364002
ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate
CID 169341534
ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate
CID 7232147
ethyl 2-amino-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-phenylpyrrole-3-carboxylate
CID 23795023
diethyl 1-(4-bromophenyl)-4-phenylnaphthalene-2,3-dicarboxylate
CID 135018432
ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate
CID 67945560
2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 3360201
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
CID 102142816
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
CID 4518070
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 2-(4-bromophenyl)indolizine-1-carboxylate (CID 2763725) is ethyl 2-(4-bromophenyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(4-bromophenyl)indolizine-1-carboxylate is CCOC(=O)c1c(-c2ccc(Br)cc2)cn2ccccc12.
What is the InChIKey of ethyl 2-(4-bromophenyl)indolizine-1-carboxylate?
The InChIKey is KUSFLFNCMBHEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-2-21-17(20)16-14(12-6-8-13(18)9-7-12)11-19-10-4-3-5-15(16)19/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromophenyl)indolizine-1-carboxylate?
ethyl 2-(4-bromophenyl)indolizine-1-carboxylate has a molecular weight of 344.21 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)indolizine-1-carboxylate is sourced from PubChem (CID 2763725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).