2-chloro-6-(cyclopentylmethoxy)pyrazine

C10H13ClN2O — CID 18186863

IUPAC2-chloro-6-(cyclopentylmethoxy)pyrazine
SMILESClc1cncc(OCC2CCCC2)n1
InChIInChI=1S/C10H13ClN2O/c11-9-5-12-6-10(13-9)14-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyJPXVIUNZXARJHN-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.70
Rot. Bonds3

About 2-chloro-6-(cyclopentylmethoxy)pyrazine

2-chloro-6-(cyclopentylmethoxy)pyrazine (PubChem CID 18186863) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-6-(cyclopentylmethoxy)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(cyclopentylmethoxy)pyrazine
PubChem CID18186863
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-6-(cyclopentylmethoxy)pyrazine
SMILESClc1cncc(OCC2CCCC2)n1
InChIInChI=1S/C10H13ClN2O/c11-9-5-12-6-10(13-9)14-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyJPXVIUNZXARJHN-UHFFFAOYSA-N
XLogP2.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopentylmethoxy)pyrazine?
The IUPAC name of 2-chloro-6-(cyclopentylmethoxy)pyrazine (CID 18186863) is 2-chloro-6-(cyclopentylmethoxy)pyrazine.
What is the SMILES notation for 2-chloro-6-(cyclopentylmethoxy)pyrazine?
The canonical SMILES for 2-chloro-6-(cyclopentylmethoxy)pyrazine is Clc1cncc(OCC2CCCC2)n1.
What is the InChIKey of 2-chloro-6-(cyclopentylmethoxy)pyrazine?
The InChIKey is JPXVIUNZXARJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-5-12-6-10(13-9)14-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2.
What are the key properties of 2-chloro-6-(cyclopentylmethoxy)pyrazine?
2-chloro-6-(cyclopentylmethoxy)pyrazine has a molecular weight of 212.68 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopentylmethoxy)pyrazine is sourced from PubChem (CID 18186863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).