2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine

C15H12BrNO — CID 66455045

IUPAC2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
SMILESBrC(Cc1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C15H12BrNO/c16-13(10-12-6-3-4-8-17-12)15-9-11-5-1-2-7-14(11)18-15/h1-9,13H,10H2
InChIKeyNUWPMCLAAHCCKR-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.51
Rot. Bonds3

About 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine

2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine (PubChem CID 66455045) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
PubChem CID66455045
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
SMILESBrC(Cc1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C15H12BrNO/c16-13(10-12-6-3-4-8-17-12)15-9-11-5-1-2-7-14(11)18-15/h1-9,13H,10H2
InChIKeyNUWPMCLAAHCCKR-UHFFFAOYSA-N
XLogP4.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 63542413
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine
CID 79084149
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095
2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
CID 66454388
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide
CID 129056914
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2-(4-bromopentan-2-yl)-1-benzofuran
CID 114733955
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine (CID 66455045) is 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine is BrC(Cc1ccccn1)c1cc2ccccc2o1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine?
The InChIKey is NUWPMCLAAHCCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13(10-12-6-3-4-8-17-12)15-9-11-5-1-2-7-14(11)18-15/h1-9,13H,10H2.
What are the key properties of 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine?
2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine has a molecular weight of 302.17 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine is sourced from PubChem (CID 66455045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).