2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde

C17H13Cl2NO2 — CID 5196502

IUPAC2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCOc1cc(Cl)c(-c2cc3ccc(C)cn3c2C=O)cc1Cl
InChIInChI=1S/C17H13Cl2NO2/c1-10-3-4-11-5-13(16(9-21)20(11)8-10)12-6-15(19)17(22-2)7-14(12)18/h3-9H,1-2H3
InChIKeyAKNRUPYXAKEQBM-UHFFFAOYSA-N
MW334.20 g/mol
LogP5.04
Rot. Bonds3

About 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde

2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde (PubChem CID 5196502) has the molecular formula C17H13Cl2NO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
PubChem CID5196502
Molecular FormulaC17H13Cl2NO2
Molecular Weight334.20 g/mol
Exact Mass333.03
IUPAC Name2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
SMILESCOc1cc(Cl)c(-c2cc3ccc(C)cn3c2C=O)cc1Cl
InChIInChI=1S/C17H13Cl2NO2/c1-10-3-4-11-5-13(16(9-21)20(11)8-10)12-6-15(19)17(22-2)7-14(12)18/h3-9H,1-2H3
InChIKeyAKNRUPYXAKEQBM-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.20
LogP ≤ 55.04
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-bromo-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3814349
2-(5-tert-butyl-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3696407
2-(4-methoxy-3,5-dimethylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3773404
2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3733875
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-(5-butan-2-yl-2-ethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3743969
6-methyl-2-(5-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3580229
2-(2-ethoxy-5-octylphenyl)-6-methylindolizine-3-carbaldehyde
CID 3691811
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
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
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde (CID 5196502) is 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde is COc1cc(Cl)c(-c2cc3ccc(C)cn3c2C=O)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde?
The InChIKey is AKNRUPYXAKEQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2/c1-10-3-4-11-5-13(16(9-21)20(11)8-10)12-6-15(19)17(22-2)7-14(12)18/h3-9H,1-2H3.
What are the key properties of 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde?
2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde has a molecular weight of 334.20 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methoxyphenyl)-6-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 5196502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).