5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine

C10H10BrClN2O — CID 66294487

IUPAC5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
SMILESClc1nc(C2CC3CCC2O3)ncc1Br
InChIInChI=1S/C10H10BrClN2O/c11-7-4-13-10(14-9(7)12)6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2
InChIKeyBSXCJRCPMLVARO-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine

5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine (PubChem CID 66294487) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
PubChem CID66294487
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
SMILESClc1nc(C2CC3CCC2O3)ncc1Br
InChIInChI=1S/C10H10BrClN2O/c11-7-4-13-10(14-9(7)12)6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2
InChIKeyBSXCJRCPMLVARO-UHFFFAOYSA-N
XLogP2.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine (CID 66294487) is 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine is Clc1nc(C2CC3CCC2O3)ncc1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine?
The InChIKey is BSXCJRCPMLVARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c11-7-4-13-10(14-9(7)12)6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2.
What are the key properties of 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine?
5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine has a molecular weight of 289.56 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine is sourced from PubChem (CID 66294487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).