2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde

C16H12ClNO — CID 3403096

IUPAC2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C16H12ClNO/c1-11-3-2-8-18-15(11)9-14(16(18)10-19)12-4-6-13(17)7-5-12/h2-10H,1H3
InChIKeyOJIVLYXJYQBLNJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.38
Rot. Bonds2

About 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde

2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde (PubChem CID 3403096) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
PubChem CID3403096
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C16H12ClNO/c1-11-3-2-8-18-15(11)9-14(16(18)10-19)12-4-6-13(17)7-5-12/h2-10H,1H3
InChIKeyOJIVLYXJYQBLNJ-UHFFFAOYSA-N
XLogP4.38
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
CID 3837530
2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3552647
2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3836029
8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
CID 3451142
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde
CID 3613512
2-(2-benzylsulfanyl-5-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3734049
2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3796993
2-(3-butan-2-yl-4-ethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 5195486
8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde
CID 3691812
2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde
CID 3805664
2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
CID 4680448

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde (CID 3403096) is 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde is Cc1cccn2c(C=O)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde?
The InChIKey is OJIVLYXJYQBLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-11-3-2-8-18-15(11)9-14(16(18)10-19)12-4-6-13(17)7-5-12/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde?
2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde has a molecular weight of 269.73 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3403096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).