2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine

C14H14ClN3 — CID 155988895

IUPAC2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine
SMILESClc1cccc(-c2cnc(C3CCCN3)cn2)c1
InChIInChI=1S/C14H14ClN3/c15-11-4-1-3-10(7-11)13-8-18-14(9-17-13)12-5-2-6-16-12/h1,3-4,7-9,12,16H,2,5-6H2
InChIKeyFYEYDJKRSVIRKT-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.22
Rot. Bonds2

About 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine

2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine (PubChem CID 155988895) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine
PubChem CID155988895
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine
SMILESClc1cccc(-c2cnc(C3CCCN3)cn2)c1
InChIInChI=1S/C14H14ClN3/c15-11-4-1-3-10(7-11)13-8-18-14(9-17-13)12-5-2-6-16-12/h1,3-4,7-9,12,16H,2,5-6H2
InChIKeyFYEYDJKRSVIRKT-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine?
The IUPAC name of 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine (CID 155988895) is 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine?
The canonical SMILES for 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine is Clc1cccc(-c2cnc(C3CCCN3)cn2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine?
The InChIKey is FYEYDJKRSVIRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-11-4-1-3-10(7-11)13-8-18-14(9-17-13)12-5-2-6-16-12/h1,3-4,7-9,12,16H,2,5-6H2.
What are the key properties of 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine?
2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine has a molecular weight of 259.74 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine is sourced from PubChem (CID 155988895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).