(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol

C11H14ClNO3 — CID 71762520

IUPAC(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(Cl)n1
InChIInChI=1S/C11H14ClNO3/c1-6-2-3-7(11(12)13-6)9-4-8(15)10(5-14)16-9/h2-3,8-10,14-15H,4-5H2,1H3/t8-,9+,10+/m0/s1
InChIKeyDDBBUBHSZZDAPA-IVZWLZJFSA-N
MW243.69 g/mol
LogP1.23
Rot. Bonds2

About (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 71762520) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID71762520
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(Cl)n1
InChIInChI=1S/C11H14ClNO3/c1-6-2-3-7(11(12)13-6)9-4-8(15)10(5-14)16-9/h2-3,8-10,14-15H,4-5H2,1H3/t8-,9+,10+/m0/s1
InChIKeyDDBBUBHSZZDAPA-IVZWLZJFSA-N
XLogP1.23
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-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 (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (CID 71762520) is (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is Cc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(Cl)n1.
What is the InChIKey of (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is DDBBUBHSZZDAPA-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6-2-3-7(11(12)13-6)9-4-8(15)10(5-14)16-9/h2-3,8-10,14-15H,4-5H2,1H3/t8-,9+,10+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 243.69 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 71762520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).