4-(pyridin-4-yliminomethyl)benzaldehyde

C13H10N2O — CID 170984117

IUPAC4-(pyridin-4-yliminomethyl)benzaldehyde
SMILESO=Cc1ccc(/C=N/c2ccncc2)cc1
InChIInChI=1S/C13H10N2O/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14-8-6-13/h1-10H/b15-9+
InChIKeyFGIQJOJVLAJCBM-OQLLNIDSSA-N
MW210.24 g/mol
LogP2.64
Rot. Bonds3

About 4-(pyridin-4-yliminomethyl)benzaldehyde

4-(pyridin-4-yliminomethyl)benzaldehyde (PubChem CID 170984117) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(pyridin-4-yliminomethyl)benzaldehyde.

Molecular Properties

Compound Name4-(pyridin-4-yliminomethyl)benzaldehyde
PubChem CID170984117
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-(pyridin-4-yliminomethyl)benzaldehyde
SMILESO=Cc1ccc(/C=N/c2ccncc2)cc1
InChIInChI=1S/C13H10N2O/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14-8-6-13/h1-10H/b15-9+
InChIKeyFGIQJOJVLAJCBM-OQLLNIDSSA-N
XLogP2.64
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-yliminomethyl)benzaldehyde?
The IUPAC name of 4-(pyridin-4-yliminomethyl)benzaldehyde (CID 170984117) is 4-(pyridin-4-yliminomethyl)benzaldehyde.
What is the SMILES notation for 4-(pyridin-4-yliminomethyl)benzaldehyde?
The canonical SMILES for 4-(pyridin-4-yliminomethyl)benzaldehyde is O=Cc1ccc(/C=N/c2ccncc2)cc1.
What is the InChIKey of 4-(pyridin-4-yliminomethyl)benzaldehyde?
The InChIKey is FGIQJOJVLAJCBM-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10N2O/c16-10-12-3-1-11(2-4-12)9-15-13-5-7-14-8-6-13/h1-10H/b15-9+.
What are the key properties of 4-(pyridin-4-yliminomethyl)benzaldehyde?
4-(pyridin-4-yliminomethyl)benzaldehyde has a molecular weight of 210.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-yliminomethyl)benzaldehyde is sourced from PubChem (CID 170984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).