ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde

C22H20N2O2 — CID 143845997

IUPACethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde
SMILESCC.O=Cc1c[nH]c2ccc(-c3ccc(-c4ccccc4O)nc3)cc12
InChIInChI=1S/C20H14N2O2.C2H6/c23-12-15-11-22-19-7-5-13(9-17(15)19)14-6-8-18(21-10-14)16-3-1-2-4-20(16)24;1-2/h1-12,22,24H;1-2H3
InChIKeyUZVAJNNYWWGGIX-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.44
Rot. Bonds3

About ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde

ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde (PubChem CID 143845997) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Nameethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde
PubChem CID143845997
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Nameethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde
SMILESCC.O=Cc1c[nH]c2ccc(-c3ccc(-c4ccccc4O)nc3)cc12
InChIInChI=1S/C20H14N2O2.C2H6/c23-12-15-11-22-19-7-5-13(9-17(15)19)14-6-8-18(21-10-14)16-3-1-2-4-20(16)24;1-2/h1-12,22,24H;1-2H3
InChIKeyUZVAJNNYWWGGIX-UHFFFAOYSA-N
XLogP5.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde?
The IUPAC name of ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde (CID 143845997) is ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde?
The canonical SMILES for ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde is CC.O=Cc1c[nH]c2ccc(-c3ccc(-c4ccccc4O)nc3)cc12.
What is the InChIKey of ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde?
The InChIKey is UZVAJNNYWWGGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2.C2H6/c23-12-15-11-22-19-7-5-13(9-17(15)19)14-6-8-18(21-10-14)16-3-1-2-4-20(16)24;1-2/h1-12,22,24H;1-2H3.
What are the key properties of ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde?
ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde has a molecular weight of 344.41 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 143845997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).