1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol

C9H11ClN2O2 — CID 106670872

IUPAC1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
SMILESOC1CN(c2ccnc(Cl)c2)CC1O
InChIInChI=1S/C9H11ClN2O2/c10-9-3-6(1-2-11-9)12-4-7(13)8(14)5-12/h1-3,7-8,13-14H,4-5H2
InChIKeyVHSRPVOWAKVRBA-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.28
Rot. Bonds1

About 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol

1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol (PubChem CID 106670872) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
PubChem CID106670872
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
SMILESOC1CN(c2ccnc(Cl)c2)CC1O
InChIInChI=1S/C9H11ClN2O2/c10-9-3-6(1-2-11-9)12-4-7(13)8(14)5-12/h1-3,7-8,13-14H,4-5H2
InChIKeyVHSRPVOWAKVRBA-UHFFFAOYSA-N
XLogP0.28
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol (CID 106670872) is 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol is OC1CN(c2ccnc(Cl)c2)CC1O.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol?
The InChIKey is VHSRPVOWAKVRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-9-3-6(1-2-11-9)12-4-7(13)8(14)5-12/h1-3,7-8,13-14H,4-5H2.
What are the key properties of 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol?
1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol has a molecular weight of 214.65 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106670872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).