(5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone

C8H6BrF2N3O — CID 142620773

IUPAC(5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(c1ncncc1Br)N1CC(F)(F)C1
InChIInChI=1S/C8H6BrF2N3O/c9-5-1-12-4-13-6(5)7(15)14-2-8(10,11)3-14/h1,4H,2-3H2
InChIKeyFEICGXXMJVZLHD-UHFFFAOYSA-N
MW278.06 g/mol
LogP1.33
Rot. Bonds1

About (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone

(5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 142620773) has the molecular formula C8H6BrF2N3O and a molecular weight of 278.06 g/mol. Its IUPAC name is (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID142620773
Molecular FormulaC8H6BrF2N3O
Molecular Weight278.06 g/mol
Exact Mass276.97
IUPAC Name(5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(c1ncncc1Br)N1CC(F)(F)C1
InChIInChI=1S/C8H6BrF2N3O/c9-5-1-12-4-13-6(5)7(15)14-2-8(10,11)3-14/h1,4H,2-3H2
InChIKeyFEICGXXMJVZLHD-UHFFFAOYSA-N
XLogP1.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone (CID 142620773) is (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone is O=C(c1ncncc1Br)N1CC(F)(F)C1.
What is the InChIKey of (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is FEICGXXMJVZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3O/c9-5-1-12-4-13-6(5)7(15)14-2-8(10,11)3-14/h1,4H,2-3H2.
What are the key properties of (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone?
(5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 278.06 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 142620773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).