6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde

C18H18N2O — CID 118413934

IUPAC6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
SMILESCC(C)Cn1ccc2cc(-c3cccc(C=O)n3)ccc21
InChIInChI=1S/C18H18N2O/c1-13(2)11-20-9-8-15-10-14(6-7-18(15)20)17-5-3-4-16(12-21)19-17/h3-10,12-13H,11H2,1-2H3
InChIKeyWUZIZONRASJOEH-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.17
Rot. Bonds4

About 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde

6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde (PubChem CID 118413934) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
PubChem CID118413934
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
SMILESCC(C)Cn1ccc2cc(-c3cccc(C=O)n3)ccc21
InChIInChI=1S/C18H18N2O/c1-13(2)11-20-9-8-15-10-14(6-7-18(15)20)17-5-3-4-16(12-21)19-17/h3-10,12-13H,11H2,1-2H3
InChIKeyWUZIZONRASJOEH-UHFFFAOYSA-N
XLogP4.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
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-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde (CID 118413934) is 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde is CC(C)Cn1ccc2cc(-c3cccc(C=O)n3)ccc21.
What is the InChIKey of 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde?
The InChIKey is WUZIZONRASJOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(2)11-20-9-8-15-10-14(6-7-18(15)20)17-5-3-4-16(12-21)19-17/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde?
6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde has a molecular weight of 278.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 118413934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).