2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine

C13H11ClN2O — CID 114523139

IUPAC2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
SMILESClc1nccnc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C13H11ClN2O/c14-13-12(15-6-7-16-13)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2
InChIKeyLELLXPYJEAKMSC-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine

2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine (PubChem CID 114523139) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
PubChem CID114523139
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
SMILESClc1nccnc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C13H11ClN2O/c14-13-12(15-6-7-16-13)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2
InChIKeyLELLXPYJEAKMSC-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine?
The IUPAC name of 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine (CID 114523139) is 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine.
What is the SMILES notation for 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine?
The canonical SMILES for 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine is Clc1nccnc1-c1cccc(OC2CC2)c1.
What is the InChIKey of 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine?
The InChIKey is LELLXPYJEAKMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-13-12(15-6-7-16-13)9-2-1-3-11(8-9)17-10-4-5-10/h1-3,6-8,10H,4-5H2.
What are the key properties of 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine?
2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine has a molecular weight of 246.70 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine is sourced from PubChem (CID 114523139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).