4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine

C12H6BrFN2O — CID 105371633

IUPAC4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine
SMILESFc1cccc2cc(-c3cncnc3Br)oc12
InChIInChI=1S/C12H6BrFN2O/c13-12-8(5-15-6-16-12)10-4-7-2-1-3-9(14)11(7)17-10/h1-6H
InChIKeyDHIWMKXWSQWVFV-UHFFFAOYSA-N
MW293.10 g/mol
LogP3.79
Rot. Bonds1

About 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine

4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine (PubChem CID 105371633) has the molecular formula C12H6BrFN2O and a molecular weight of 293.10 g/mol. Its IUPAC name is 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine
PubChem CID105371633
Molecular FormulaC12H6BrFN2O
Molecular Weight293.10 g/mol
Exact Mass291.96
IUPAC Name4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine
SMILESFc1cccc2cc(-c3cncnc3Br)oc12
InChIInChI=1S/C12H6BrFN2O/c13-12-8(5-15-6-16-12)10-4-7-2-1-3-9(14)11(7)17-10/h1-6H
InChIKeyDHIWMKXWSQWVFV-UHFFFAOYSA-N
XLogP3.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Benzofuran-2-yl)pyrimidine-2,4-diamine
CID 44530976
5-(1-Benzofuran-2-yl)pyrimidine
CID 10631732
5-(1-Benzofuran-2-yl)pyrimidin-2-amine
CID 50972411
Benzfuro[2,3-d]pyrimidine
CID 69058952
6-(4-Bromophenyl)furo[2,3-d]pyrimidine
CID 69398994
2-(Benzofuran-3-yl)pyrimidine
CID 118141333
(4-Amino-2-chloro-pyrimidin-5-yl)-(5-fluoro-benzofuran-7-yl)-methanone
CID 21070552
5-[1-Benzofuran-2-yl-(2,4-difluorophenyl)methyl]pyrimidine
CID 53676433
5-[[2-(1-Benzofuran-2-yl)phenyl]-fluoromethyl]pyrimidine
CID 53771831
5-[(4-Fluorophenyl)-(furan-2-yl)methyl]pyrimidine
CID 53833754
5-[(2,4-Difluorophenyl)-fluoro-(furan-2-yl)methyl]pyrimidine
CID 54110271
4-[1-Benzofuran-2-yl(pyrimidin-5-yl)methyl]-3-fluorobenzonitrile
CID 54196399

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine?
The IUPAC name of 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine (CID 105371633) is 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine.
What is the SMILES notation for 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine?
The canonical SMILES for 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine is Fc1cccc2cc(-c3cncnc3Br)oc12.
What is the InChIKey of 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine?
The InChIKey is DHIWMKXWSQWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O/c13-12-8(5-15-6-16-12)10-4-7-2-1-3-9(14)11(7)17-10/h1-6H.
What are the key properties of 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine?
4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine has a molecular weight of 293.10 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine is sourced from PubChem (CID 105371633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).