4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine

C12H6BrClN2O — CID 169089879

IUPAC4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
SMILESClc1ncc(Br)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H6BrClN2O/c13-8-6-15-12(14)16-11(8)10-5-7-3-1-2-4-9(7)17-10/h1-6H
InChIKeyRJEAWOXOXISEIU-UHFFFAOYSA-N
MW309.55 g/mol
LogP4.31
Rot. Bonds1

About 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine

4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine (PubChem CID 169089879) has the molecular formula C12H6BrClN2O and a molecular weight of 309.55 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
PubChem CID169089879
Molecular FormulaC12H6BrClN2O
Molecular Weight309.55 g/mol
Exact Mass307.94
IUPAC Name4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
SMILESClc1ncc(Br)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H6BrClN2O/c13-8-6-15-12(14)16-11(8)10-5-7-3-1-2-4-9(7)17-10/h1-6H
InChIKeyRJEAWOXOXISEIU-UHFFFAOYSA-N
XLogP4.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
2-Benzo[b]furan-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 70691516
4-(1-benzofuran-2-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 134135874
(E)-3-[4-[[4-(1-benzofuran-2-yl)-5-methylpyrimidin-2-yl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 134154440
4-(5-methylfuran-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 14347019
4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 14347093
4-(1-Benzofuran-2-yl)pyrimidin-2-amine
CID 44551744
7-(1-Benzofuran-2-yl)tetrazolo[1,5-a]pyrimidine
CID 127043811
5-[3,5-Bis(trifluoromethyl)phenyl]-4-(2-furyl)pyrimidine
CID 127050998
4-(2-Furyl)-5-phenyl-pyrimidine
CID 127052159
5-(3-Fluorophenyl)-4-(2-furyl)pyrimidine
CID 127053044
5-Bromo-4-(furan-2-yl)pyrimidine
CID 90682855

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine?
The IUPAC name of 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine (CID 169089879) is 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine is Clc1ncc(Br)c(-c2cc3ccccc3o2)n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine?
The InChIKey is RJEAWOXOXISEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O/c13-8-6-15-12(14)16-11(8)10-5-7-3-1-2-4-9(7)17-10/h1-6H.
What are the key properties of 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine?
4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine has a molecular weight of 309.55 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine is sourced from PubChem (CID 169089879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).