5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde

C20H14N2O — CID 3741706

IUPAC5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccncc2)[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C20H14N2O/c23-13-18-17-12-16(14-4-2-1-3-5-14)6-7-19(17)22-20(18)15-8-10-21-11-9-15/h1-13,22H
InChIKeyHMDKBYWLALPELX-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.71
Rot. Bonds3

About 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde

5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde (PubChem CID 3741706) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
PubChem CID3741706
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccncc2)[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C20H14N2O/c23-13-18-17-12-16(14-4-2-1-3-5-14)6-7-19(17)22-20(18)15-8-10-21-11-9-15/h1-13,22H
InChIKeyHMDKBYWLALPELX-UHFFFAOYSA-N
XLogP4.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
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 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde (CID 3741706) is 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccncc2)[nH]c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde?
The InChIKey is HMDKBYWLALPELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-13-18-17-12-16(14-4-2-1-3-5-14)6-7-19(17)22-20(18)15-8-10-21-11-9-15/h1-13,22H.
What are the key properties of 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde?
5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde has a molecular weight of 298.35 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3741706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).