2-pyridin-3-yl-1H-indole-3-carbaldehyde

C14H10N2O — CID 2771714

IUPAC2-pyridin-3-yl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C14H10N2O/c17-9-12-11-5-1-2-6-13(11)16-14(12)10-4-3-7-15-8-10/h1-9,16H
InChIKeySQVYVEPAYPBNHI-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.04
Rot. Bonds2

About 2-pyridin-3-yl-1H-indole-3-carbaldehyde

2-pyridin-3-yl-1H-indole-3-carbaldehyde (PubChem CID 2771714) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-3-yl-1H-indole-3-carbaldehyde
PubChem CID2771714
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-pyridin-3-yl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C14H10N2O/c17-9-12-11-5-1-2-6-13(11)16-14(12)10-4-3-7-15-8-10/h1-9,16H
InChIKeySQVYVEPAYPBNHI-UHFFFAOYSA-N
XLogP3.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.04
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 2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-pyridin-3-yl-1H-indole-3-carbaldehyde (CID 2771714) is 2-pyridin-3-yl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-pyridin-3-yl-1H-indole-3-carbaldehyde is O=Cc1c(-c2cccnc2)[nH]c2ccccc12.
What is the InChIKey of 2-pyridin-3-yl-1H-indole-3-carbaldehyde?
The InChIKey is SQVYVEPAYPBNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-9-12-11-5-1-2-6-13(11)16-14(12)10-4-3-7-15-8-10/h1-9,16H.
What are the key properties of 2-pyridin-3-yl-1H-indole-3-carbaldehyde?
2-pyridin-3-yl-1H-indole-3-carbaldehyde has a molecular weight of 222.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 2771714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).