2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde

C16H12ClNO — CID 4680448

IUPAC2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
SMILESCc1cc(-c2cc3ccccn3c2C=O)ccc1Cl
InChIInChI=1S/C16H12ClNO/c1-11-8-12(5-6-15(11)17)14-9-13-4-2-3-7-18(13)16(14)10-19/h2-10H,1H3
InChIKeyZVJBFXZARBNPRY-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.38
Rot. Bonds2

About 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde

2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde (PubChem CID 4680448) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
PubChem CID4680448
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
SMILESCc1cc(-c2cc3ccccn3c2C=O)ccc1Cl
InChIInChI=1S/C16H12ClNO/c1-11-8-12(5-6-15(11)17)14-9-13-4-2-3-7-18(13)16(14)10-19/h2-10H,1H3
InChIKeyZVJBFXZARBNPRY-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

2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde
CID 3800822
2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3753661
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046
2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3403096
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
CID 3837530
2-(2,4-difluorophenyl)indolizine-3-carbaldehyde
CID 3833627
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
(E)-3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195829
2-(4-chloro-3-methylphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688057
3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
CID 39132933

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde (CID 4680448) is 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde is Cc1cc(-c2cc3ccccn3c2C=O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde?
The InChIKey is ZVJBFXZARBNPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-11-8-12(5-6-15(11)17)14-9-13-4-2-3-7-18(13)16(14)10-19/h2-10H,1H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde?
2-(4-chloro-3-methylphenyl)indolizine-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-chloro-3-methylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 4680448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).