2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine

C10H14ClN3O — CID 129499527

IUPAC2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
SMILESCOC[C@H]1CCCN1c1nccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-15-7-8-3-2-6-14(8)10-9(11)12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeySPNMEHPHJFPOBD-MRVPVSSYSA-N
MW227.69 g/mol
LogP1.75
Rot. Bonds3

About 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine

2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine (PubChem CID 129499527) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
PubChem CID129499527
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
SMILESCOC[C@H]1CCCN1c1nccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-15-7-8-3-2-6-14(8)10-9(11)12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeySPNMEHPHJFPOBD-MRVPVSSYSA-N
XLogP1.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine (CID 129499527) is 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine is COC[C@H]1CCCN1c1nccnc1Cl.
What is the InChIKey of 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The InChIKey is SPNMEHPHJFPOBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-7-8-3-2-6-14(8)10-9(11)12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine has a molecular weight of 227.69 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 129499527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).