5-phenylpyridine-2-carbaldehyde

C12H9NO — CID 26343603

IUPAC5-phenylpyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C12H9NO/c14-9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-9H
InChIKeyIMMPVOLAPKOFFB-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.56
Rot. Bonds2

About 5-phenylpyridine-2-carbaldehyde

5-phenylpyridine-2-carbaldehyde (PubChem CID 26343603) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-phenylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-phenylpyridine-2-carbaldehyde
PubChem CID26343603
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name5-phenylpyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C12H9NO/c14-9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-9H
InChIKeyIMMPVOLAPKOFFB-UHFFFAOYSA-N
XLogP2.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpyridine-2-carbaldehyde?
The IUPAC name of 5-phenylpyridine-2-carbaldehyde (CID 26343603) is 5-phenylpyridine-2-carbaldehyde.
What is the SMILES notation for 5-phenylpyridine-2-carbaldehyde?
The canonical SMILES for 5-phenylpyridine-2-carbaldehyde is O=Cc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 5-phenylpyridine-2-carbaldehyde?
The InChIKey is IMMPVOLAPKOFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-phenylpyridine-2-carbaldehyde?
5-phenylpyridine-2-carbaldehyde has a molecular weight of 183.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyridine-2-carbaldehyde is sourced from PubChem (CID 26343603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).