[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol

C14H13NO2 — CID 54339470

IUPAC[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol
SMILESOC[C@]1(c2ccccc2)O[C@H]1c1cccnc1
InChIInChI=1S/C14H13NO2/c16-10-14(12-6-2-1-3-7-12)13(17-14)11-5-4-8-15-9-11/h1-9,13,16H,10H2/t13-,14+/m0/s1
InChIKeyTXXHPOVRWWZSBR-UONOGXRCSA-N
MW227.26 g/mol
LogP2.04
Rot. Bonds3

About [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol

[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol (PubChem CID 54339470) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol
PubChem CID54339470
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol
SMILESOC[C@]1(c2ccccc2)O[C@H]1c1cccnc1
InChIInChI=1S/C14H13NO2/c16-10-14(12-6-2-1-3-7-12)13(17-14)11-5-4-8-15-9-11/h1-9,13,16H,10H2/t13-,14+/m0/s1
InChIKeyTXXHPOVRWWZSBR-UONOGXRCSA-N
XLogP2.04
TPSA45.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol (CID 54339470) is [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol is OC[C@]1(c2ccccc2)O[C@H]1c1cccnc1.
What is the InChIKey of [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol?
The InChIKey is TXXHPOVRWWZSBR-UONOGXRCSA-N. The full InChI is InChI=1S/C14H13NO2/c16-10-14(12-6-2-1-3-7-12)13(17-14)11-5-4-8-15-9-11/h1-9,13,16H,10H2/t13-,14+/m0/s1.
What are the key properties of [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol?
[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol has a molecular weight of 227.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol is sourced from PubChem (CID 54339470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).