benzaldehyde;bis(pyridine)

C17H16N2O — CID 174954830

IUPACbenzaldehyde;bis(pyridine)
SMILESO=Cc1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C7H6O.2C5H5N/c8-6-7-4-2-1-3-5-7;2*1-2-4-6-5-3-1/h1-6H;2*1-5H
InChIKeySBHNGJOTEMCWJG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.66
Rot. Bonds1

About benzaldehyde;bis(pyridine)

benzaldehyde;bis(pyridine) (PubChem CID 174954830) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is benzaldehyde;bis(pyridine).

Molecular Properties

Compound Namebenzaldehyde;bis(pyridine)
PubChem CID174954830
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Namebenzaldehyde;bis(pyridine)
SMILESO=Cc1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C7H6O.2C5H5N/c8-6-7-4-2-1-3-5-7;2*1-2-4-6-5-3-1/h1-6H;2*1-5H
InChIKeySBHNGJOTEMCWJG-UHFFFAOYSA-N
XLogP3.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.66
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 benzaldehyde;bis(pyridine)?
The IUPAC name of benzaldehyde;bis(pyridine) (CID 174954830) is benzaldehyde;bis(pyridine).
What is the SMILES notation for benzaldehyde;bis(pyridine)?
The canonical SMILES for benzaldehyde;bis(pyridine) is O=Cc1ccccc1.c1ccncc1.c1ccncc1.
What is the InChIKey of benzaldehyde;bis(pyridine)?
The InChIKey is SBHNGJOTEMCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.2C5H5N/c8-6-7-4-2-1-3-5-7;2*1-2-4-6-5-3-1/h1-6H;2*1-5H.
What are the key properties of benzaldehyde;bis(pyridine)?
benzaldehyde;bis(pyridine) has a molecular weight of 264.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;bis(pyridine) is sourced from PubChem (CID 174954830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).