4-(azetidin-1-yl)-3,5-dibromopyridine

C8H8Br2N2 — CID 130639085

IUPAC4-(azetidin-1-yl)-3,5-dibromopyridine
SMILESBrc1cncc(Br)c1N1CCC1
InChIInChI=1S/C8H8Br2N2/c9-6-4-11-5-7(10)8(6)12-2-1-3-12/h4-5H,1-3H2
InChIKeyHUYHJRYQICZBBE-UHFFFAOYSA-N
MW291.97 g/mol
LogP2.82
Rot. Bonds1

About 4-(azetidin-1-yl)-3,5-dibromopyridine

4-(azetidin-1-yl)-3,5-dibromopyridine (PubChem CID 130639085) has the molecular formula C8H8Br2N2 and a molecular weight of 291.97 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3,5-dibromopyridine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3,5-dibromopyridine
PubChem CID130639085
Molecular FormulaC8H8Br2N2
Molecular Weight291.97 g/mol
Exact Mass289.91
IUPAC Name4-(azetidin-1-yl)-3,5-dibromopyridine
SMILESBrc1cncc(Br)c1N1CCC1
InChIInChI=1S/C8H8Br2N2/c9-6-4-11-5-7(10)8(6)12-2-1-3-12/h4-5H,1-3H2
InChIKeyHUYHJRYQICZBBE-UHFFFAOYSA-N
XLogP2.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3,5-dibromopyridine?
The IUPAC name of 4-(azetidin-1-yl)-3,5-dibromopyridine (CID 130639085) is 4-(azetidin-1-yl)-3,5-dibromopyridine.
What is the SMILES notation for 4-(azetidin-1-yl)-3,5-dibromopyridine?
The canonical SMILES for 4-(azetidin-1-yl)-3,5-dibromopyridine is Brc1cncc(Br)c1N1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-3,5-dibromopyridine?
The InChIKey is HUYHJRYQICZBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2/c9-6-4-11-5-7(10)8(6)12-2-1-3-12/h4-5H,1-3H2.
What are the key properties of 4-(azetidin-1-yl)-3,5-dibromopyridine?
4-(azetidin-1-yl)-3,5-dibromopyridine has a molecular weight of 291.97 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3,5-dibromopyridine is sourced from PubChem (CID 130639085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).