3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one

C10H10ClNO3 — CID 51056345

IUPAC3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one
SMILESO=C1OCCC1[C@H](O)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClNO3/c11-8-2-1-6(5-12-8)9(13)7-3-4-15-10(7)14/h1-2,5,7,9,13H,3-4H2/t7?,9-/m1/s1
InChIKeyPONAPRHEALOWFM-NHSZFOGYSA-N
MW227.65 g/mol
LogP1.33
Rot. Bonds2

About 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one

3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one (PubChem CID 51056345) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one
PubChem CID51056345
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one
SMILESO=C1OCCC1[C@H](O)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClNO3/c11-8-2-1-6(5-12-8)9(13)7-3-4-15-10(7)14/h1-2,5,7,9,13H,3-4H2/t7?,9-/m1/s1
InChIKeyPONAPRHEALOWFM-NHSZFOGYSA-N
XLogP1.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one?
The IUPAC name of 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one (CID 51056345) is 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one.
What is the SMILES notation for 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one?
The canonical SMILES for 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one is O=C1OCCC1[C@H](O)c1ccc(Cl)nc1.
What is the InChIKey of 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one?
The InChIKey is PONAPRHEALOWFM-NHSZFOGYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-8-2-1-6(5-12-8)9(13)7-3-4-15-10(7)14/h1-2,5,7,9,13H,3-4H2/t7?,9-/m1/s1.
What are the key properties of 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one?
3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one has a molecular weight of 227.65 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(6-chloro-3-pyridinyl)-hydroxymethyl]oxolan-2-one is sourced from PubChem (CID 51056345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).