(3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol

C10H12F2N2O2 — CID 130470431

IUPAC(3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2cccc(OC(F)F)n2)C1
InChIInChI=1S/C10H12F2N2O2/c11-10(12)16-9-3-1-2-8(13-9)14-5-4-7(15)6-14/h1-3,7,10,15H,4-6H2/t7-/m1/s1
InChIKeyPLCPBOUARWOLCG-SSDOTTSWSA-N
MW230.21 g/mol
LogP1.25
Rot. Bonds3

About (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol

(3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 130470431) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID130470431
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name(3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2cccc(OC(F)F)n2)C1
InChIInChI=1S/C10H12F2N2O2/c11-10(12)16-9-3-1-2-8(13-9)14-5-4-7(15)6-14/h1-3,7,10,15H,4-6H2/t7-/m1/s1
InChIKeyPLCPBOUARWOLCG-SSDOTTSWSA-N
XLogP1.25
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol (CID 130470431) is (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol is O[C@@H]1CCN(c2cccc(OC(F)F)n2)C1.
What is the InChIKey of (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is PLCPBOUARWOLCG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c11-10(12)16-9-3-1-2-8(13-9)14-5-4-7(15)6-14/h1-3,7,10,15H,4-6H2/t7-/m1/s1.
What are the key properties of (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol?
(3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 230.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(difluoromethoxy)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 130470431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).