2,3-bis(pyridin-2-ylmethyl)benzaldehyde

C19H16N2O — CID 141134654

IUPAC2,3-bis(pyridin-2-ylmethyl)benzaldehyde
SMILESO=Cc1cccc(Cc2ccccn2)c1Cc1ccccn1
InChIInChI=1S/C19H16N2O/c22-14-16-7-5-6-15(12-17-8-1-3-10-20-17)19(16)13-18-9-2-4-11-21-18/h1-11,14H,12-13H2
InChIKeySBRNTAJNQWDBPB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.47
Rot. Bonds5

About 2,3-bis(pyridin-2-ylmethyl)benzaldehyde

2,3-bis(pyridin-2-ylmethyl)benzaldehyde (PubChem CID 141134654) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,3-bis(pyridin-2-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name2,3-bis(pyridin-2-ylmethyl)benzaldehyde
PubChem CID141134654
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2,3-bis(pyridin-2-ylmethyl)benzaldehyde
SMILESO=Cc1cccc(Cc2ccccn2)c1Cc1ccccn1
InChIInChI=1S/C19H16N2O/c22-14-16-7-5-6-15(12-17-8-1-3-10-20-17)19(16)13-18-9-2-4-11-21-18/h1-11,14H,12-13H2
InChIKeySBRNTAJNQWDBPB-UHFFFAOYSA-N
XLogP3.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.47
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 2,3-bis(pyridin-2-ylmethyl)benzaldehyde?
The IUPAC name of 2,3-bis(pyridin-2-ylmethyl)benzaldehyde (CID 141134654) is 2,3-bis(pyridin-2-ylmethyl)benzaldehyde.
What is the SMILES notation for 2,3-bis(pyridin-2-ylmethyl)benzaldehyde?
The canonical SMILES for 2,3-bis(pyridin-2-ylmethyl)benzaldehyde is O=Cc1cccc(Cc2ccccn2)c1Cc1ccccn1.
What is the InChIKey of 2,3-bis(pyridin-2-ylmethyl)benzaldehyde?
The InChIKey is SBRNTAJNQWDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-14-16-7-5-6-15(12-17-8-1-3-10-20-17)19(16)13-18-9-2-4-11-21-18/h1-11,14H,12-13H2.
What are the key properties of 2,3-bis(pyridin-2-ylmethyl)benzaldehyde?
2,3-bis(pyridin-2-ylmethyl)benzaldehyde has a molecular weight of 288.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(pyridin-2-ylmethyl)benzaldehyde is sourced from PubChem (CID 141134654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).