2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride

C8H11Cl2N3O — CID 56831272

IUPAC2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride
SMILESCl.Clc1cncc(OC2CCNC2)n1
InChIInChI=1S/C8H10ClN3O.ClH/c9-7-4-11-5-8(12-7)13-6-1-2-10-3-6;/h4-6,10H,1-3H2;1H
InChIKeyKJRHSCGFSXIWHR-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.29
Rot. Bonds2

About 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride

2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride (PubChem CID 56831272) has the molecular formula C8H11Cl2N3O and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride
PubChem CID56831272
Molecular FormulaC8H11Cl2N3O
Molecular Weight236.10 g/mol
Exact Mass235.03
IUPAC Name2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride
SMILESCl.Clc1cncc(OC2CCNC2)n1
InChIInChI=1S/C8H10ClN3O.ClH/c9-7-4-11-5-8(12-7)13-6-1-2-10-3-6;/h4-6,10H,1-3H2;1H
InChIKeyKJRHSCGFSXIWHR-UHFFFAOYSA-N
XLogP1.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride?
The IUPAC name of 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride (CID 56831272) is 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride.
What is the SMILES notation for 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride?
The canonical SMILES for 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride is Cl.Clc1cncc(OC2CCNC2)n1.
What is the InChIKey of 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride?
The InChIKey is KJRHSCGFSXIWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O.ClH/c9-7-4-11-5-8(12-7)13-6-1-2-10-3-6;/h4-6,10H,1-3H2;1H.
What are the key properties of 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride?
2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride has a molecular weight of 236.10 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride is sourced from PubChem (CID 56831272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).