4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol

C9H11ClN2O2 — CID 64600987

IUPAC4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol
SMILESOC1CNCC1Oc1cncc(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c10-6-1-7(3-11-2-6)14-9-5-12-4-8(9)13/h1-3,8-9,12-13H,4-5H2
InChIKeyKCVNQAGMSGMIPB-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.45
Rot. Bonds2

About 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol

4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol (PubChem CID 64600987) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol
PubChem CID64600987
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol
SMILESOC1CNCC1Oc1cncc(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c10-6-1-7(3-11-2-6)14-9-5-12-4-8(9)13/h1-3,8-9,12-13H,4-5H2
InChIKeyKCVNQAGMSGMIPB-UHFFFAOYSA-N
XLogP0.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol (CID 64600987) is 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol is OC1CNCC1Oc1cncc(Cl)c1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol?
The InChIKey is KCVNQAGMSGMIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-6-1-7(3-11-2-6)14-9-5-12-4-8(9)13/h1-3,8-9,12-13H,4-5H2.
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol?
4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol has a molecular weight of 214.65 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]pyrrolidin-3-ol is sourced from PubChem (CID 64600987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).