(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol

C7H8F2N2O — CID 70700762

IUPAC(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol
SMILESN[C@@H](CO)c1ncc(F)cc1F
InChIInChI=1S/C7H8F2N2O/c8-4-1-5(9)7(11-2-4)6(10)3-12/h1-2,6,12H,3,10H2/t6-/m0/s1
InChIKeyAMGQRACZJQQGIM-LURJTMIESA-N
MW174.15 g/mol
LogP0.35
Rot. Bonds2

About (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol

(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol (PubChem CID 70700762) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol
PubChem CID70700762
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol
SMILESN[C@@H](CO)c1ncc(F)cc1F
InChIInChI=1S/C7H8F2N2O/c8-4-1-5(9)7(11-2-4)6(10)3-12/h1-2,6,12H,3,10H2/t6-/m0/s1
InChIKeyAMGQRACZJQQGIM-LURJTMIESA-N
XLogP0.35
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol (CID 70700762) is (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol is N[C@@H](CO)c1ncc(F)cc1F.
What is the InChIKey of (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol?
The InChIKey is AMGQRACZJQQGIM-LURJTMIESA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-4-1-5(9)7(11-2-4)6(10)3-12/h1-2,6,12H,3,10H2/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol?
(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol has a molecular weight of 174.15 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 70700762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).