(R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol

C15H13Cl2NO2 — CID 71522470

IUPAC(R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)[C@@]1(c2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C15H13Cl2NO2/c16-11-5-4-10(9-12(11)17)15(6-8-20-15)14(19)13-3-1-2-7-18-13/h1-5,7,9,14,19H,6,8H2/t14-,15+/m1/s1
InChIKeyALNGBZZADVDQDE-CABCVRRESA-N
MW310.18 g/mol
LogP3.74
Rot. Bonds3

About (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol

(R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol (PubChem CID 71522470) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol
PubChem CID71522470
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)[C@@]1(c2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C15H13Cl2NO2/c16-11-5-4-10(9-12(11)17)15(6-8-20-15)14(19)13-3-1-2-7-18-13/h1-5,7,9,14,19H,6,8H2/t14-,15+/m1/s1
InChIKeyALNGBZZADVDQDE-CABCVRRESA-N
XLogP3.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol?
The IUPAC name of (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol (CID 71522470) is (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol?
The canonical SMILES for (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol is O[C@H](c1ccccn1)[C@@]1(c2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol?
The InChIKey is ALNGBZZADVDQDE-CABCVRRESA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-11-5-4-10(9-12(11)17)15(6-8-20-15)14(19)13-3-1-2-7-18-13/h1-5,7,9,14,19H,6,8H2/t14-,15+/m1/s1.
What are the key properties of (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol?
(R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol has a molecular weight of 310.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 71522470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).