2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone

C15H13NO2 — CID 105135078

IUPAC2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cccc3c2OCC3)c1
InChIInChI=1S/C15H13NO2/c1-10-7-12(9-16-8-10)14(17)13-4-2-3-11-5-6-18-15(11)13/h2-4,7-9H,5-6H2,1H3
InChIKeyZQJSFXOJINUVSM-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.56
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone

2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone (PubChem CID 105135078) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
PubChem CID105135078
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cccc3c2OCC3)c1
InChIInChI=1S/C15H13NO2/c1-10-7-12(9-16-8-10)14(17)13-4-2-3-11-5-6-18-15(11)13/h2-4,7-9H,5-6H2,1H3
InChIKeyZQJSFXOJINUVSM-UHFFFAOYSA-N
XLogP2.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
CID 105133567
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
CID 114744044
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950163

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone (CID 105135078) is 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)c2cccc3c2OCC3)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone?
The InChIKey is ZQJSFXOJINUVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-7-12(9-16-8-10)14(17)13-4-2-3-11-5-6-18-15(11)13/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone has a molecular weight of 239.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105135078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).