2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde

C17H14BrNO2 — CID 3814349

IUPAC2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1cc2ccc(C)cn2c1C=O
InChIInChI=1S/C17H14BrNO2/c1-11-3-5-13-8-14(16(10-20)19(13)9-11)15-7-12(18)4-6-17(15)21-2/h3-10H,1-2H3
InChIKeyJAMIEOFENBPDGT-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.50
Rot. Bonds3

About 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde

2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde (PubChem CID 3814349) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
PubChem CID3814349
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1cc2ccc(C)cn2c1C=O
InChIInChI=1S/C17H14BrNO2/c1-11-3-5-13-8-14(16(10-20)19(13)9-11)15-7-12(18)4-6-17(15)21-2/h3-10H,1-2H3
InChIKeyJAMIEOFENBPDGT-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-tert-butyl-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3696407
2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 5196502
2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3743969
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3733875
6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3696408
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82135444
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-(4-bromophenyl)-1-methoxy-4-methylbenzene
CID 83665556
2-(5-bromo-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 136995593

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde (CID 3814349) is 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde is COc1ccc(Br)cc1-c1cc2ccc(C)cn2c1C=O.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The InChIKey is JAMIEOFENBPDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11-3-5-13-8-14(16(10-20)19(13)9-11)15-7-12(18)4-6-17(15)21-2/h3-10H,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde?
2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde has a molecular weight of 344.21 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3814349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).