2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone

C18H13FN2O2 — CID 58318875

IUPAC2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone
SMILESO=C(Cc1ccc(F)cn1)c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C18H13FN2O2/c19-14-6-7-15(21-11-14)10-18(22)13-3-1-4-16(9-13)23-17-5-2-8-20-12-17/h1-9,11-12H,10H2
InChIKeyPGVPJFJLJPIGAJ-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.83
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone

2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone (PubChem CID 58318875) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone
PubChem CID58318875
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone
SMILESO=C(Cc1ccc(F)cn1)c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C18H13FN2O2/c19-14-6-7-15(21-11-14)10-18(22)13-3-1-4-16(9-13)23-17-5-2-8-20-12-17/h1-9,11-12H,10H2
InChIKeyPGVPJFJLJPIGAJ-UHFFFAOYSA-N
XLogP3.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone (CID 58318875) is 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone is O=C(Cc1ccc(F)cn1)c1cccc(Oc2cccnc2)c1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone?
The InChIKey is PGVPJFJLJPIGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-6-7-15(21-11-14)10-18(22)13-3-1-4-16(9-13)23-17-5-2-8-20-12-17/h1-9,11-12H,10H2.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone?
2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 308.31 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 58318875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).