(3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol

C10H14ClN3O2 — CID 129496020

IUPAC(3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol
SMILESCCO[C@H]1CN(c2nccnc2Cl)C[C@H]1O
InChIInChI=1S/C10H14ClN3O2/c1-2-16-8-6-14(5-7(8)15)10-9(11)12-3-4-13-10/h3-4,7-8,15H,2,5-6H2,1H3/t7-,8+/m1/s1
InChIKeyCPXJSJWUOSXCNN-SFYZADRCSA-N
MW243.69 g/mol
LogP0.72
Rot. Bonds3

About (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol

(3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol (PubChem CID 129496020) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol
PubChem CID129496020
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name(3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol
SMILESCCO[C@H]1CN(c2nccnc2Cl)C[C@H]1O
InChIInChI=1S/C10H14ClN3O2/c1-2-16-8-6-14(5-7(8)15)10-9(11)12-3-4-13-10/h3-4,7-8,15H,2,5-6H2,1H3/t7-,8+/m1/s1
InChIKeyCPXJSJWUOSXCNN-SFYZADRCSA-N
XLogP0.72
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol (CID 129496020) is (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol is CCO[C@H]1CN(c2nccnc2Cl)C[C@H]1O.
What is the InChIKey of (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol?
The InChIKey is CPXJSJWUOSXCNN-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-2-16-8-6-14(5-7(8)15)10-9(11)12-3-4-13-10/h3-4,7-8,15H,2,5-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol?
(3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol has a molecular weight of 243.69 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(3-chloropyrazin-2-yl)-4-ethoxypyrrolidin-3-ol is sourced from PubChem (CID 129496020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).