5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde

C14H14N2O2 — CID 152554921

IUPAC5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde
SMILESCOc1ccc(NCc2ccccn2)c(C=O)c1
InChIInChI=1S/C14H14N2O2/c1-18-13-5-6-14(11(8-13)10-17)16-9-12-4-2-3-7-15-12/h2-8,10,16H,9H2,1H3
InChIKeyYOGURNYROKAVQT-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.51
Rot. Bonds5

About 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde

5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde (PubChem CID 152554921) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde
PubChem CID152554921
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde
SMILESCOc1ccc(NCc2ccccn2)c(C=O)c1
InChIInChI=1S/C14H14N2O2/c1-18-13-5-6-14(11(8-13)10-17)16-9-12-4-2-3-7-15-12/h2-8,10,16H,9H2,1H3
InChIKeyYOGURNYROKAVQT-UHFFFAOYSA-N
XLogP2.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde?
The IUPAC name of 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde (CID 152554921) is 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde.
What is the SMILES notation for 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde?
The canonical SMILES for 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde is COc1ccc(NCc2ccccn2)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde?
The InChIKey is YOGURNYROKAVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-5-6-14(11(8-13)10-17)16-9-12-4-2-3-7-15-12/h2-8,10,16H,9H2,1H3.
What are the key properties of 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde?
5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(pyridin-2-ylmethylamino)benzaldehyde is sourced from PubChem (CID 152554921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).