1-pyridin-3-ylpyrrole-2-carbaldehyde

C10H8N2O — CID 3153995

IUPAC1-pyridin-3-ylpyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1cccnc1
InChIInChI=1S/C10H8N2O/c13-8-10-4-2-6-12(10)9-3-1-5-11-7-9/h1-8H
InChIKeyLNJLQAHCCSBMCK-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.68
Rot. Bonds2

About 1-pyridin-3-ylpyrrole-2-carbaldehyde

1-pyridin-3-ylpyrrole-2-carbaldehyde (PubChem CID 3153995) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-pyridin-3-ylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-pyridin-3-ylpyrrole-2-carbaldehyde
PubChem CID3153995
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1-pyridin-3-ylpyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1cccnc1
InChIInChI=1S/C10H8N2O/c13-8-10-4-2-6-12(10)9-3-1-5-11-7-9/h1-8H
InChIKeyLNJLQAHCCSBMCK-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.68
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 1-pyridin-3-ylpyrrole-2-carbaldehyde?
The IUPAC name of 1-pyridin-3-ylpyrrole-2-carbaldehyde (CID 3153995) is 1-pyridin-3-ylpyrrole-2-carbaldehyde.
What is the SMILES notation for 1-pyridin-3-ylpyrrole-2-carbaldehyde?
The canonical SMILES for 1-pyridin-3-ylpyrrole-2-carbaldehyde is O=Cc1cccn1-c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpyrrole-2-carbaldehyde?
The InChIKey is LNJLQAHCCSBMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-8-10-4-2-6-12(10)9-3-1-5-11-7-9/h1-8H.
What are the key properties of 1-pyridin-3-ylpyrrole-2-carbaldehyde?
1-pyridin-3-ylpyrrole-2-carbaldehyde has a molecular weight of 172.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpyrrole-2-carbaldehyde is sourced from PubChem (CID 3153995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).