6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde

C17H12N2O2 — CID 131997148

IUPAC6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde
SMILESC=C(c1cc(C=O)cc(C=O)n1)c1cccc2[nH]ccc12
InChIInChI=1S/C17H12N2O2/c1-11(14-3-2-4-16-15(14)5-6-18-16)17-8-12(9-20)7-13(10-21)19-17/h2-10,18H,1H2
InChIKeyFKPQLZJCRMRJMQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.25
Rot. Bonds4

About 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde

6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde (PubChem CID 131997148) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde.

Molecular Properties

Compound Name6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde
PubChem CID131997148
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde
SMILESC=C(c1cc(C=O)cc(C=O)n1)c1cccc2[nH]ccc12
InChIInChI=1S/C17H12N2O2/c1-11(14-3-2-4-16-15(14)5-6-18-16)17-8-12(9-20)7-13(10-21)19-17/h2-10,18H,1H2
InChIKeyFKPQLZJCRMRJMQ-UHFFFAOYSA-N
XLogP3.25
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde?
The IUPAC name of 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde (CID 131997148) is 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde.
What is the SMILES notation for 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde?
The canonical SMILES for 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde is C=C(c1cc(C=O)cc(C=O)n1)c1cccc2[nH]ccc12.
What is the InChIKey of 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde?
The InChIKey is FKPQLZJCRMRJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-11(14-3-2-4-16-15(14)5-6-18-16)17-8-12(9-20)7-13(10-21)19-17/h2-10,18H,1H2.
What are the key properties of 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde?
6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde has a molecular weight of 276.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1H-indol-4-yl)ethenyl]pyridine-2,4-dicarbaldehyde is sourced from PubChem (CID 131997148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).