1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone

C13H10FNO — CID 58362655

IUPAC1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)nc2)cc1
InChIInChI=1S/C13H10FNO/c1-9(16)10-2-4-11(5-3-10)12-6-7-13(14)15-8-12/h2-8H,1H3
InChIKeyNUAINRRNJQVXAM-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.09
Rot. Bonds2

About 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone

1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone (PubChem CID 58362655) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone
PubChem CID58362655
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)nc2)cc1
InChIInChI=1S/C13H10FNO/c1-9(16)10-2-4-11(5-3-10)12-6-7-13(14)15-8-12/h2-8H,1H3
InChIKeyNUAINRRNJQVXAM-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone (CID 58362655) is 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(F)nc2)cc1.
What is the InChIKey of 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone?
The InChIKey is NUAINRRNJQVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9(16)10-2-4-11(5-3-10)12-6-7-13(14)15-8-12/h2-8H,1H3.
What are the key properties of 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone?
1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone has a molecular weight of 215.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone is sourced from PubChem (CID 58362655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).