2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine

C15H15BrClN3O — CID 172905172

IUPAC2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine
SMILESClc1cncc(OCC2CN(Cc3ccc(Br)cc3)C2)n1
InChIInChI=1S/C15H15BrClN3O/c16-13-3-1-11(2-4-13)7-20-8-12(9-20)10-21-15-6-18-5-14(17)19-15/h1-6,12H,7-10H2
InChIKeyUWSBZSZTVNVAEV-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.40
Rot. Bonds5

About 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine

2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine (PubChem CID 172905172) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine.

Molecular Properties

Compound Name2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine
PubChem CID172905172
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine
SMILESClc1cncc(OCC2CN(Cc3ccc(Br)cc3)C2)n1
InChIInChI=1S/C15H15BrClN3O/c16-13-3-1-11(2-4-13)7-20-8-12(9-20)10-21-15-6-18-5-14(17)19-15/h1-6,12H,7-10H2
InChIKeyUWSBZSZTVNVAEV-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine?
The IUPAC name of 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine (CID 172905172) is 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine.
What is the SMILES notation for 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine?
The canonical SMILES for 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine is Clc1cncc(OCC2CN(Cc3ccc(Br)cc3)C2)n1.
What is the InChIKey of 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine?
The InChIKey is UWSBZSZTVNVAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c16-13-3-1-11(2-4-13)7-20-8-12(9-20)10-21-15-6-18-5-14(17)19-15/h1-6,12H,7-10H2.
What are the key properties of 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine?
2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine has a molecular weight of 368.66 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine is sourced from PubChem (CID 172905172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).