1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol

C8H10ClN3O — CID 66569913

IUPAC1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C8H10ClN3O/c9-6-3-10-8(11-4-6)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2
InChIKeyRSFDDQTZDRCPAJ-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.70
Rot. Bonds1

About 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol

1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 66569913) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID66569913
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C8H10ClN3O/c9-6-3-10-8(11-4-6)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2
InChIKeyRSFDDQTZDRCPAJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol (CID 66569913) is 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol is OC1CCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is RSFDDQTZDRCPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-6-3-10-8(11-4-6)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2.
What are the key properties of 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol?
1-(5-chloropyrimidin-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 1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 66569913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).