2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine

C13H11Cl2N3O — CID 170636354

IUPAC2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine
SMILESClc1ccc(Oc2cnc(C3CNC3)cn2)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-1-2-12(10(15)3-9)19-13-7-17-11(6-18-13)8-4-16-5-8/h1-3,6-8,16H,4-5H2
InChIKeyCKRMUIUNMUAVPW-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.26
Rot. Bonds3

About 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine

2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine (PubChem CID 170636354) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine
PubChem CID170636354
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine
SMILESClc1ccc(Oc2cnc(C3CNC3)cn2)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-1-2-12(10(15)3-9)19-13-7-17-11(6-18-13)8-4-16-5-8/h1-3,6-8,16H,4-5H2
InChIKeyCKRMUIUNMUAVPW-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
3-[2-(azetidin-3-yloxy)-4-chlorophenoxy]isoquinoline
CID 58405115
3-[2-(2,4-dichlorophenoxy)ethylsulfanylmethyl]azetidine
CID 66289058
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640339
1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
CID 63911030
5-(4-chloro-2-methylphenoxy)pyrazin-2-amine
CID 80663336
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
[2-(2,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 61256718
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine?
The IUPAC name of 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine (CID 170636354) is 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine?
The canonical SMILES for 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine is Clc1ccc(Oc2cnc(C3CNC3)cn2)c(Cl)c1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine?
The InChIKey is CKRMUIUNMUAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-9-1-2-12(10(15)3-9)19-13-7-17-11(6-18-13)8-4-16-5-8/h1-3,6-8,16H,4-5H2.
What are the key properties of 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine?
2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine has a molecular weight of 296.16 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(2,4-dichlorophenoxy)pyrazine is sourced from PubChem (CID 170636354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).