2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine

C14H13Cl2N3 — CID 175660871

IUPAC2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine
SMILESClc1ccc(-c2cnc(C3CCCN3)cn2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3/c15-9-3-4-10(11(16)6-9)13-7-19-14(8-18-13)12-2-1-5-17-12/h3-4,6-8,12,17H,1-2,5H2
InChIKeyNSMNDYIGSRQIOY-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.87
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine

2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine (PubChem CID 175660871) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine
PubChem CID175660871
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine
SMILESClc1ccc(-c2cnc(C3CCCN3)cn2)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3/c15-9-3-4-10(11(16)6-9)13-7-19-14(8-18-13)12-2-1-5-17-12/h3-4,6-8,12,17H,1-2,5H2
InChIKeyNSMNDYIGSRQIOY-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine
CID 155988895
3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569078
2-(2-methylphenyl)-5-pyrrolidin-2-ylpyrazine
CID 155983162
3,5-dichloro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 130641922
2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine
CID 95846608
2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456904
2-(1H-imidazol-2-yl)-5-pyrrolidin-2-ylpyrazine
CID 132648027
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-benzyl-5-pyrrolidin-2-ylpyrazine
CID 73440172
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine (CID 175660871) is 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine is Clc1ccc(-c2cnc(C3CCCN3)cn2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine?
The InChIKey is NSMNDYIGSRQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c15-9-3-4-10(11(16)6-9)13-7-19-14(8-18-13)12-2-1-5-17-12/h3-4,6-8,12,17H,1-2,5H2.
What are the key properties of 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine?
2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine has a molecular weight of 294.19 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine is sourced from PubChem (CID 175660871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).