(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol

C8H10ClN3O — CID 129416146

IUPAC(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2cnc(Cl)cn2)C1
InChIInChI=1S/C8H10ClN3O/c9-7-3-11-8(4-10-7)12-2-1-6(13)5-12/h3-4,6,13H,1-2,5H2/t6-/m0/s1
InChIKeyCEOBPGRGKBCKFB-LURJTMIESA-N
MW199.64 g/mol
LogP0.70
Rot. Bonds1

About (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol

(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol (PubChem CID 129416146) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
PubChem CID129416146
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2cnc(Cl)cn2)C1
InChIInChI=1S/C8H10ClN3O/c9-7-3-11-8(4-10-7)12-2-1-6(13)5-12/h3-4,6,13H,1-2,5H2/t6-/m0/s1
InChIKeyCEOBPGRGKBCKFB-LURJTMIESA-N
XLogP0.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 104696756
2-[1-(5-chloropyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 130986944
(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
[(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate
CID 175183971
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
(3R)-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-ol
CID 104929635
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid
CID 129407137
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol (CID 129416146) is (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol is O[C@H]1CCN(c2cnc(Cl)cn2)C1.
What is the InChIKey of (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol?
The InChIKey is CEOBPGRGKBCKFB-LURJTMIESA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-7-3-11-8(4-10-7)12-2-1-6(13)5-12/h3-4,6,13H,1-2,5H2/t6-/m0/s1.
What are the key properties of (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol?
(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol has a molecular weight of 199.64 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129416146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).