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

C16H12FNO — CID 3552647

IUPAC2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(F)cc3)cc12
InChIInChI=1S/C16H12FNO/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
InChIKeyGOOGQEBHRMNLMW-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.87
Rot. Bonds2

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

2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde (PubChem CID 3552647) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
PubChem CID3552647
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(F)cc3)cc12
InChIInChI=1S/C16H12FNO/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
InChIKeyGOOGQEBHRMNLMW-UHFFFAOYSA-N
XLogP3.87
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde (CID 3552647) is 2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde is Cc1cccn2c(C=O)c(-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde?
The InChIKey is GOOGQEBHRMNLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/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-fluorophenyl)-8-methylindolizine-3-carbaldehyde?
2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde has a molecular weight of 253.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3552647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).