5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine

C7H7BrFN3 — CID 130742383

IUPAC5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
SMILESFC1CN(c2ncncc2Br)C1
InChIInChI=1S/C7H7BrFN3/c8-6-1-10-4-11-7(6)12-2-5(9)3-12/h1,4-5H,2-3H2
InChIKeyDCCJCNQFOUXPOG-UHFFFAOYSA-N
MW232.06 g/mol
LogP1.40
Rot. Bonds1

About 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine

5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine (PubChem CID 130742383) has the molecular formula C7H7BrFN3 and a molecular weight of 232.06 g/mol. Its IUPAC name is 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
PubChem CID130742383
Molecular FormulaC7H7BrFN3
Molecular Weight232.06 g/mol
Exact Mass230.98
IUPAC Name5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
SMILESFC1CN(c2ncncc2Br)C1
InChIInChI=1S/C7H7BrFN3/c8-6-1-10-4-11-7(6)12-2-5(9)3-12/h1,4-5H,2-3H2
InChIKeyDCCJCNQFOUXPOG-UHFFFAOYSA-N
XLogP1.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine (CID 130742383) is 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine is FC1CN(c2ncncc2Br)C1.
What is the InChIKey of 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine?
The InChIKey is DCCJCNQFOUXPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN3/c8-6-1-10-4-11-7(6)12-2-5(9)3-12/h1,4-5H,2-3H2.
What are the key properties of 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine?
5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine has a molecular weight of 232.06 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine is sourced from PubChem (CID 130742383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).