2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone

C15H11BrClNO2 — CID 105126763

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone
SMILESO=C(Cc1cc(Br)cc2c1OCC2)c1ccncc1Cl
InChIInChI=1S/C15H11BrClNO2/c16-11-5-9-2-4-20-15(9)10(6-11)7-14(19)12-1-3-18-8-13(12)17/h1,3,5-6,8H,2,4,7H2
InChIKeyLVEIAWMEYRWKJR-UHFFFAOYSA-N
MW352.62 g/mol
LogP3.86
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone (PubChem CID 105126763) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone
PubChem CID105126763
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone
SMILESO=C(Cc1cc(Br)cc2c1OCC2)c1ccncc1Cl
InChIInChI=1S/C15H11BrClNO2/c16-11-5-9-2-4-20-15(9)10(6-11)7-14(19)12-1-3-18-8-13(12)17/h1,3,5-6,8H,2,4,7H2
InChIKeyLVEIAWMEYRWKJR-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-chloropyridine-4-carboxamide
CID 104702780
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885223
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105126756
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methyltriazol-4-yl)ethanone
CID 112735769
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885477
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-4-methylphenyl)ethanone
CID 115796764
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 115796884
1-(3-bromo-5-methylphenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796534
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide
CID 104773207
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-methylphenyl)ethanone
CID 115796449
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-chloropyridine-2-carboxamide
CID 104702838
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114885386

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone (CID 105126763) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone is O=C(Cc1cc(Br)cc2c1OCC2)c1ccncc1Cl.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone?
The InChIKey is LVEIAWMEYRWKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c16-11-5-9-2-4-20-15(9)10(6-11)7-14(19)12-1-3-18-8-13(12)17/h1,3,5-6,8H,2,4,7H2.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone has a molecular weight of 352.62 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-pyridinyl)ethanone is sourced from PubChem (CID 105126763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).