1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone

C16H13NO2 — CID 66447636

IUPAC1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1CC(=O)c1coc2ccccc12
InChIInChI=1S/C16H13NO2/c1-11-5-4-8-17-14(11)9-15(18)13-10-19-16-7-3-2-6-12(13)16/h2-8,10H,9H2,1H3
InChIKeySGTIXROPCWOENF-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.56
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone

1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone (PubChem CID 66447636) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
PubChem CID66447636
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1CC(=O)c1coc2ccccc12
InChIInChI=1S/C16H13NO2/c1-11-5-4-8-17-14(11)9-15(18)13-10-19-16-7-3-2-6-12(13)16/h2-8,10H,9H2,1H3
InChIKeySGTIXROPCWOENF-UHFFFAOYSA-N
XLogP3.56
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 114821426
1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone
CID 116832768
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894
1-(1-benzofuran-3-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797949
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447836
1-(1-benzofuran-3-yl)-2-(2-methoxyphenoxy)ethanone
CID 43612267
1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79094528
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone (CID 66447636) is 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1CC(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is SGTIXROPCWOENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-5-4-8-17-14(11)9-15(18)13-10-19-16-7-3-2-6-12(13)16/h2-8,10H,9H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone?
1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 251.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 66447636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).