methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate

C17H14BrNO2 — CID 102142816

IUPACmethyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Br)cc2)c(C)n2ccccc12
InChIInChI=1S/C17H14BrNO2/c1-11-15(12-6-8-13(18)9-7-12)16(17(20)21-2)14-5-3-4-10-19(11)14/h3-10H,1-2H3
InChIKeyGUBXNTHRXSLXGH-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.46
Rot. Bonds2

About methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate

methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate (PubChem CID 102142816) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
PubChem CID102142816
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Namemethyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Br)cc2)c(C)n2ccccc12
InChIInChI=1S/C17H14BrNO2/c1-11-15(12-6-8-13(18)9-7-12)16(17(20)21-2)14-5-3-4-10-19(11)14/h3-10H,1-2H3
InChIKeyGUBXNTHRXSLXGH-UHFFFAOYSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzyl-4-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 102498013
methyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982755
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017
methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
ethyl 2-[2-(4-bromophenyl)-1-phenylindolizin-3-yl]-2-oxoacetate
CID 67106331
ethyl 2-(4-bromophenyl)indolizine-1-carboxylate
CID 2763725
methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 131527386
methyl 1-benzoyl-2-(4-cyanophenyl)indolizine-3-carboxylate
CID 11280435
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
1,3-dimethyl-2-phenylindolizine
CID 165358792
methyl 2,5-dimethylindolizine-1-carboxylate
CID 121000758

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate?
The IUPAC name of methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate (CID 102142816) is methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate.
What is the SMILES notation for methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate?
The canonical SMILES for methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate is COC(=O)c1c(-c2ccc(Br)cc2)c(C)n2ccccc12.
What is the InChIKey of methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate?
The InChIKey is GUBXNTHRXSLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11-15(12-6-8-13(18)9-7-12)16(17(20)21-2)14-5-3-4-10-19(11)14/h3-10H,1-2H3.
What are the key properties of methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate?
methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate has a molecular weight of 344.21 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate is sourced from PubChem (CID 102142816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).