2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine

C13H13ClN4O — CID 166605850

IUPAC2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
SMILESClc1cnccc1OC1CCN(c2cnccn2)C1
InChIInChI=1S/C13H13ClN4O/c14-11-7-15-3-1-12(11)19-10-2-6-18(9-10)13-8-16-4-5-17-13/h1,3-5,7-8,10H,2,6,9H2
InChIKeyMOAANBRBJFUIMO-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.18
Rot. Bonds3

About 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine

2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine (PubChem CID 166605850) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
PubChem CID166605850
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
SMILESClc1cnccc1OC1CCN(c2cnccn2)C1
InChIInChI=1S/C13H13ClN4O/c14-11-7-15-3-1-12(11)19-10-2-6-18(9-10)13-8-16-4-5-17-13/h1,3-5,7-8,10H,2,6,9H2
InChIKeyMOAANBRBJFUIMO-UHFFFAOYSA-N
XLogP2.18
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166603493
3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
CID 166605932
7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine
CID 166603629
2-[3-[(3-bromo-4-pyridinyl)oxy]pyrrolidin-1-yl]-5-chloropyrimidine
CID 139028724
3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
CID 20701175
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
CID 155975796
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 121017872
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine (CID 166605850) is 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine is Clc1cnccc1OC1CCN(c2cnccn2)C1.
What is the InChIKey of 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine?
The InChIKey is MOAANBRBJFUIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-7-15-3-1-12(11)19-10-2-6-18(9-10)13-8-16-4-5-17-13/h1,3-5,7-8,10H,2,6,9H2.
What are the key properties of 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine?
2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine has a molecular weight of 276.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 166605850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).