5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde

C10H10N2O — CID 165453204

IUPAC5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(N2CC=CC2)cn1
InChIInChI=1S/C10H10N2O/c13-8-9-3-4-10(7-11-9)12-5-1-2-6-12/h1-4,7-8H,5-6H2
InChIKeyQHGZWNZLHBAOMD-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.27
Rot. Bonds2

About 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde

5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde (PubChem CID 165453204) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde
PubChem CID165453204
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(N2CC=CC2)cn1
InChIInChI=1S/C10H10N2O/c13-8-9-3-4-10(7-11-9)12-5-1-2-6-12/h1-4,7-8H,5-6H2
InChIKeyQHGZWNZLHBAOMD-UHFFFAOYSA-N
XLogP1.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde (CID 165453204) is 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde is O=Cc1ccc(N2CC=CC2)cn1.
What is the InChIKey of 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde?
The InChIKey is QHGZWNZLHBAOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-8-9-3-4-10(7-11-9)12-5-1-2-6-12/h1-4,7-8H,5-6H2.
What are the key properties of 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde?
5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 165453204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).