4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine

C13H8BrFN2O — CID 114734322

IUPAC4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
SMILESCc1nc(Br)cc(-c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C13H8BrFN2O/c1-7-16-10(6-12(14)17-7)11-5-8-3-2-4-9(15)13(8)18-11/h2-6H,1H3
InChIKeyBSNBTWSQXWDDGO-UHFFFAOYSA-N
MW307.12 g/mol
LogP4.10
Rot. Bonds1

About 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine

4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine (PubChem CID 114734322) has the molecular formula C13H8BrFN2O and a molecular weight of 307.12 g/mol. Its IUPAC name is 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
PubChem CID114734322
Molecular FormulaC13H8BrFN2O
Molecular Weight307.12 g/mol
Exact Mass305.98
IUPAC Name4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
SMILESCc1nc(Br)cc(-c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C13H8BrFN2O/c1-7-16-10(6-12(14)17-7)11-5-8-3-2-4-9(15)13(8)18-11/h2-6H,1H3
InChIKeyBSNBTWSQXWDDGO-UHFFFAOYSA-N
XLogP4.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
CID 114734330
2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
CID 114734299
6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
CID 114734919
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
5-(7-fluoro-1-benzofuran-2-yl)-3-methylpyridin-2-amine
CID 114731979
6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
CID 114734957
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912
[2-(7-fluoro-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113748
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106521910

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine?
The IUPAC name of 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine (CID 114734322) is 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine?
The canonical SMILES for 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine is Cc1nc(Br)cc(-c2cc3cccc(F)c3o2)n1.
What is the InChIKey of 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine?
The InChIKey is BSNBTWSQXWDDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O/c1-7-16-10(6-12(14)17-7)11-5-8-3-2-4-9(15)13(8)18-11/h2-6H,1H3.
What are the key properties of 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine?
4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine has a molecular weight of 307.12 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine is sourced from PubChem (CID 114734322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).