1,10-phenanthroline-2-carbaldehyde

C13H8N2O — CID 4737072

IUPAC1,10-phenanthroline-2-carbaldehyde
SMILESO=Cc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H8N2O/c16-8-11-6-5-10-4-3-9-2-1-7-14-12(9)13(10)15-11/h1-8H
InChIKeySURLLZFZRLZTBI-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.60
Rot. Bonds1

About 1,10-phenanthroline-2-carbaldehyde

1,10-phenanthroline-2-carbaldehyde (PubChem CID 4737072) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1,10-phenanthroline-2-carbaldehyde.

Molecular Properties

Compound Name1,10-phenanthroline-2-carbaldehyde
PubChem CID4737072
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Name1,10-phenanthroline-2-carbaldehyde
SMILESO=Cc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C13H8N2O/c16-8-11-6-5-10-4-3-9-2-1-7-14-12(9)13(10)15-11/h1-8H
InChIKeySURLLZFZRLZTBI-UHFFFAOYSA-N
XLogP2.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-2-carbaldehyde?
The IUPAC name of 1,10-phenanthroline-2-carbaldehyde (CID 4737072) is 1,10-phenanthroline-2-carbaldehyde.
What is the SMILES notation for 1,10-phenanthroline-2-carbaldehyde?
The canonical SMILES for 1,10-phenanthroline-2-carbaldehyde is O=Cc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 1,10-phenanthroline-2-carbaldehyde?
The InChIKey is SURLLZFZRLZTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c16-8-11-6-5-10-4-3-9-2-1-7-14-12(9)13(10)15-11/h1-8H.
What are the key properties of 1,10-phenanthroline-2-carbaldehyde?
1,10-phenanthroline-2-carbaldehyde has a molecular weight of 208.22 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-2-carbaldehyde is sourced from PubChem (CID 4737072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).