5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde

C12H8N2O2 — CID 90656960

IUPAC5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C=O)nc2)cn1
InChIInChI=1S/C12H8N2O2/c15-7-11-3-1-9(5-13-11)10-2-4-12(8-16)14-6-10/h1-8H
InChIKeyNPQXMTUQLRZKMK-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.77
Rot. Bonds3

About 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde

5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde (PubChem CID 90656960) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde
PubChem CID90656960
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C=O)nc2)cn1
InChIInChI=1S/C12H8N2O2/c15-7-11-3-1-9(5-13-11)10-2-4-12(8-16)14-6-10/h1-8H
InChIKeyNPQXMTUQLRZKMK-UHFFFAOYSA-N
XLogP1.77
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde (CID 90656960) is 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde is O=Cc1ccc(-c2ccc(C=O)nc2)cn1.
What is the InChIKey of 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde?
The InChIKey is NPQXMTUQLRZKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-7-11-3-1-9(5-13-11)10-2-4-12(8-16)14-6-10/h1-8H.
What are the key properties of 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde?
5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-formyl-3-pyridinyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 90656960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).