2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine

C11H15ClN2O2 — CID 103054848

IUPAC2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine
SMILESClc1cnc(COCC2CCOCC2)cn1
InChIInChI=1S/C11H15ClN2O2/c12-11-6-13-10(5-14-11)8-16-7-9-1-3-15-4-2-9/h5-6,9H,1-4,7-8H2
InChIKeyONMXTMZHAMOWBX-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.07
Rot. Bonds4

About 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine

2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine (PubChem CID 103054848) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine
PubChem CID103054848
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine
SMILESClc1cnc(COCC2CCOCC2)cn1
InChIInChI=1S/C11H15ClN2O2/c12-11-6-13-10(5-14-11)8-16-7-9-1-3-15-4-2-9/h5-6,9H,1-4,7-8H2
InChIKeyONMXTMZHAMOWBX-UHFFFAOYSA-N
XLogP2.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine?
The IUPAC name of 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine (CID 103054848) is 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine.
What is the SMILES notation for 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine?
The canonical SMILES for 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine is Clc1cnc(COCC2CCOCC2)cn1.
What is the InChIKey of 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine?
The InChIKey is ONMXTMZHAMOWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-11-6-13-10(5-14-11)8-16-7-9-1-3-15-4-2-9/h5-6,9H,1-4,7-8H2.
What are the key properties of 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine?
2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine has a molecular weight of 242.71 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(oxan-4-ylmethoxymethyl)pyrazine is sourced from PubChem (CID 103054848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).