(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone

C15H10FNO2 — CID 105081841

IUPAC(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cncc(F)c3)cc2c1
InChIInChI=1S/C15H10FNO2/c1-9-2-3-13-10(4-9)6-14(19-13)15(18)11-5-12(16)8-17-7-11/h2-8H,1H3
InChIKeyUJCVESHNVKFRLX-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.51
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone

(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 105081841) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID105081841
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cncc(F)c3)cc2c1
InChIInChI=1S/C15H10FNO2/c1-9-2-3-13-10(4-9)6-14(19-13)15(18)11-5-12(16)8-17-7-11/h2-8H,1H3
InChIKeyUJCVESHNVKFRLX-UHFFFAOYSA-N
XLogP3.51
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 63327124
(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105133326
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081902
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 114963527
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 105081841) is (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)c3cncc(F)c3)cc2c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is UJCVESHNVKFRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c1-9-2-3-13-10(4-9)6-14(19-13)15(18)11-5-12(16)8-17-7-11/h2-8H,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 255.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105081841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).