2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine

C14H10BrNO — CID 114734121

IUPAC2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine
SMILESCc1ccc2oc(-c3cccc(Br)n3)cc2c1
InChIInChI=1S/C14H10BrNO/c1-9-5-6-12-10(7-9)8-13(17-12)11-3-2-4-14(15)16-11/h2-8H,1H3
InChIKeyXPYGBMLIWPRAEH-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.57
Rot. Bonds1

About 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine

2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine (PubChem CID 114734121) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine
PubChem CID114734121
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine
SMILESCc1ccc2oc(-c3cccc(Br)n3)cc2c1
InChIInChI=1S/C14H10BrNO/c1-9-5-6-12-10(7-9)8-13(17-12)11-3-2-4-14(15)16-11/h2-8H,1H3
InChIKeyXPYGBMLIWPRAEH-UHFFFAOYSA-N
XLogP4.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole
CID 64722899
5-(5-methyl-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 115109944
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607435
2-bromo-6-(5-methyl-3-pyridinyl)pyridine
CID 115375410
6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
CID 114734108
N-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734538
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
5-cyclohexyl-3-(5-methyl-1-benzofuran-2-yl)-1H-1,2,4-triazole
CID 63549541

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine?
The IUPAC name of 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine (CID 114734121) is 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine?
The canonical SMILES for 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine is Cc1ccc2oc(-c3cccc(Br)n3)cc2c1.
What is the InChIKey of 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine?
The InChIKey is XPYGBMLIWPRAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c1-9-5-6-12-10(7-9)8-13(17-12)11-3-2-4-14(15)16-11/h2-8H,1H3.
What are the key properties of 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine?
2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine has a molecular weight of 288.14 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine is sourced from PubChem (CID 114734121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).