[(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'}

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

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

Launch Full Analysis

Related Compounds

(2R,3R)-2-ethyl-2,3-diphenyloxirane
CID 45095524
3-(1-oxaspiro[2.5]octan-2-yl)pyridine
CID 10726324
methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate
CID 134946251
3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine
CID 102444304
2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine
CID 101468002
(2-methyl-2-pyridin-3-ylcyclopropyl)methanol
CID 81358842
(4R)-5,5-dimethyl-3-oxido-4-phenyl-2-pyridin-3-ylimidazolidin-4-ol
CID 163141041
3-phenyl-2-pyridin-3-yloxaziridine
CID 19026281
2-benzyl-5-methyl-3-pyridin-3-yl-3,4-dihydropyrazole-4-carboxylic acid
CID 82072861
3-(2-phenylmethoxycyclopropyl)pyridine
CID 174946029
(2S)-4,4-diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
CID 668641
4-methyl-5-phenyl-2-pyridin-3-yl-1,3-oxazolidine
CID 584280

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).