3-(2-fluoro-3-pyridinyl)benzaldehyde

C12H8FNO — CID 165111787

IUPAC3-(2-fluoro-3-pyridinyl)benzaldehyde
SMILESO=Cc1cccc(-c2cccnc2F)c1
InChIInChI=1S/C12H8FNO/c13-12-11(5-2-6-14-12)10-4-1-3-9(7-10)8-15/h1-8H
InChIKeyHTNGTFOGJSIPHZ-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.70
Rot. Bonds2

About 3-(2-fluoro-3-pyridinyl)benzaldehyde

3-(2-fluoro-3-pyridinyl)benzaldehyde (PubChem CID 165111787) has the molecular formula C12H8FNO and a molecular weight of 201.20 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)benzaldehyde
PubChem CID165111787
Molecular FormulaC12H8FNO
Molecular Weight201.20 g/mol
Exact Mass201.06
IUPAC Name3-(2-fluoro-3-pyridinyl)benzaldehyde
SMILESO=Cc1cccc(-c2cccnc2F)c1
InChIInChI=1S/C12H8FNO/c13-12-11(5-2-6-14-12)10-4-1-3-9(7-10)8-15/h1-8H
InChIKeyHTNGTFOGJSIPHZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-pyridinyl)benzaldehyde?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)benzaldehyde (CID 165111787) is 3-(2-fluoro-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)benzaldehyde?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)benzaldehyde is O=Cc1cccc(-c2cccnc2F)c1.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)benzaldehyde?
The InChIKey is HTNGTFOGJSIPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO/c13-12-11(5-2-6-14-12)10-4-1-3-9(7-10)8-15/h1-8H.
What are the key properties of 3-(2-fluoro-3-pyridinyl)benzaldehyde?
3-(2-fluoro-3-pyridinyl)benzaldehyde has a molecular weight of 201.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 165111787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).