6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde

C16H14N2O — CID 3764927

IUPAC6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3ccncc3)c(C=O)n2c1
InChIInChI=1S/C16H14N2O/c1-2-12-3-4-14-9-15(13-5-7-17-8-6-13)16(11-19)18(14)10-12/h3-11H,2H2,1H3
InChIKeyYUXALVNUNFYFPD-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.38
Rot. Bonds3

About 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde

6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde (PubChem CID 3764927) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
PubChem CID3764927
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3ccncc3)c(C=O)n2c1
InChIInChI=1S/C16H14N2O/c1-2-12-3-4-14-9-15(13-5-7-17-8-6-13)16(11-19)18(14)10-12/h3-11H,2H2,1H3
InChIKeyYUXALVNUNFYFPD-UHFFFAOYSA-N
XLogP3.38
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.38
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

6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
CID 5104649
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3773979
6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3696408
7-methyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 4615625
6-ethyl-2-(3-methyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3533161
2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750993
2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750994
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
3-N-[(Z)-(6-ethyl-2-phenylindolizin-3-yl)methylideneamino]-1,2,4-triazole-3,4-diamine
CID 6248528

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde?
The IUPAC name of 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde (CID 3764927) is 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde.
What is the SMILES notation for 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde?
The canonical SMILES for 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde is CCc1ccc2cc(-c3ccncc3)c(C=O)n2c1.
What is the InChIKey of 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde?
The InChIKey is YUXALVNUNFYFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-12-3-4-14-9-15(13-5-7-17-8-6-13)16(11-19)18(14)10-12/h3-11H,2H2,1H3.
What are the key properties of 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde?
6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde is sourced from PubChem (CID 3764927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).