1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone

C14H8FNO2 — CID 22612315

IUPAC1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cccnc1F)c1coc2ccccc12
InChIInChI=1S/C14H8FNO2/c15-14-10(5-3-7-16-14)13(17)11-8-18-12-6-2-1-4-9(11)12/h1-8H
InChIKeyIMWOJHGORMZBAN-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.20
Rot. Bonds2

About 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone

1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone (PubChem CID 22612315) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone
PubChem CID22612315
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cccnc1F)c1coc2ccccc12
InChIInChI=1S/C14H8FNO2/c15-14-10(5-3-7-16-14)13(17)11-8-18-12-6-2-1-4-9(11)12/h1-8H
InChIKeyIMWOJHGORMZBAN-UHFFFAOYSA-N
XLogP3.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5H-chromeno(2,3-b)pyridin-5-one
CID 659312
7-Methyl-5H-furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one
CID 55432
4-(2-Benzofuranyl)pyridine
CID 65590
Inicarone
CID 65811
3-(Furan-2-yl)pyridine
CID 11137298
2-(4-Fluorophenyl)-3-(pyridin-4-yl)furan
CID 44572271
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]pyridine
CID 45482767
4-(Benzofuran-5-yl)pyridine
CID 69909895
(4-Methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone
CID 24747827
Propyl 2-(4-methoxyphenyl)-5-(6-methoxypyridin-3-yl)benzofuran-3-carboxylate
CID 24818794

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone?
The IUPAC name of 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone (CID 22612315) is 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone?
The canonical SMILES for 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone is O=C(c1cccnc1F)c1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone?
The InChIKey is IMWOJHGORMZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-14-10(5-3-7-16-14)13(17)11-8-18-12-6-2-1-4-9(11)12/h1-8H.
What are the key properties of 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone?
1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone has a molecular weight of 241.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(2-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 22612315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).