2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine

C9H12ClN3O — CID 116650736

IUPAC2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
SMILESClc1cncc(OCC2CCCN2)n1
InChIInChI=1S/C9H12ClN3O/c10-8-4-11-5-9(13-8)14-6-7-2-1-3-12-7/h4-5,7,12H,1-3,6H2
InChIKeyGPWNJQFOUUYLPA-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.26
Rot. Bonds3

About 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine

2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine (PubChem CID 116650736) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
PubChem CID116650736
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
SMILESClc1cncc(OCC2CCCN2)n1
InChIInChI=1S/C9H12ClN3O/c10-8-4-11-5-9(13-8)14-6-7-2-1-3-12-7/h4-5,7,12H,1-3,6H2
InChIKeyGPWNJQFOUUYLPA-UHFFFAOYSA-N
XLogP1.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrazine
CID 86321843
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
5-bromo-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 62347925
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 177332339
4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
CID 97163146
6-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973220
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
2,4-dimethyl-6-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 62348060
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
CID 97162856
4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine?
The IUPAC name of 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine (CID 116650736) is 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine.
What is the SMILES notation for 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine?
The canonical SMILES for 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine is Clc1cncc(OCC2CCCN2)n1.
What is the InChIKey of 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine?
The InChIKey is GPWNJQFOUUYLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-4-11-5-9(13-8)14-6-7-2-1-3-12-7/h4-5,7,12H,1-3,6H2.
What are the key properties of 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine?
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine has a molecular weight of 213.67 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine is sourced from PubChem (CID 116650736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).