2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone

C16H12BrNO2 — CID 105128836

IUPAC2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1ccc2oc(C(=O)Cc3cncc(Br)c3)cc2c1
InChIInChI=1S/C16H12BrNO2/c1-10-2-3-15-12(4-10)7-16(20-15)14(19)6-11-5-13(17)9-18-8-11/h2-5,7-9H,6H2,1H3
InChIKeyDVUOXOOBYOJTKD-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.32
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone

2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 105128836) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
PubChem CID105128836
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1ccc2oc(C(=O)Cc3cncc(Br)c3)cc2c1
InChIInChI=1S/C16H12BrNO2/c1-10-2-3-15-12(4-10)7-16(20-15)14(19)6-11-5-13(17)9-18-8-11/h2-5,7-9H,6H2,1H3
InChIKeyDVUOXOOBYOJTKD-UHFFFAOYSA-N
XLogP4.32
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105092387
1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448685
2-(4-bromophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 114725515
2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105102492
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105111398
1-(5-methyl-1-benzofuran-2-yl)-2-(propylamino)ethanone
CID 114736423
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone (CID 105128836) is 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone is Cc1ccc2oc(C(=O)Cc3cncc(Br)c3)cc2c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is DVUOXOOBYOJTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-10-2-3-15-12(4-10)7-16(20-15)14(19)6-11-5-13(17)9-18-8-11/h2-5,7-9H,6H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 330.18 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 105128836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).