2-phenylpyridine-3-carbaldehyde

C12H9NO — CID 12581874

IUPAC2-phenylpyridine-3-carbaldehyde
SMILESO=Cc1cccnc1-c1ccccc1
InChIInChI=1S/C12H9NO/c14-9-11-7-4-8-13-12(11)10-5-2-1-3-6-10/h1-9H
InChIKeyCCITWDQDNVHLSN-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.56
Rot. Bonds2

About 2-phenylpyridine-3-carbaldehyde

2-phenylpyridine-3-carbaldehyde (PubChem CID 12581874) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-phenylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-phenylpyridine-3-carbaldehyde
PubChem CID12581874
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2-phenylpyridine-3-carbaldehyde
SMILESO=Cc1cccnc1-c1ccccc1
InChIInChI=1S/C12H9NO/c14-9-11-7-4-8-13-12(11)10-5-2-1-3-6-10/h1-9H
InChIKeyCCITWDQDNVHLSN-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 2-phenylpyridine-3-carbaldehyde?
The IUPAC name of 2-phenylpyridine-3-carbaldehyde (CID 12581874) is 2-phenylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-phenylpyridine-3-carbaldehyde?
The canonical SMILES for 2-phenylpyridine-3-carbaldehyde is O=Cc1cccnc1-c1ccccc1.
What is the InChIKey of 2-phenylpyridine-3-carbaldehyde?
The InChIKey is CCITWDQDNVHLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-9-11-7-4-8-13-12(11)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-phenylpyridine-3-carbaldehyde?
2-phenylpyridine-3-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 2-phenylpyridine-3-carbaldehyde is sourced from PubChem (CID 12581874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).