(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol

C8H10F2N2O — CID 130742500

IUPAC(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol
SMILESC[C@](N)(CO)c1ncc(F)cc1F
InChIInChI=1S/C8H10F2N2O/c1-8(11,4-13)7-6(10)2-5(9)3-12-7/h2-3,13H,4,11H2,1H3/t8-/m0/s1
InChIKeyXINUJUYPIZWXHY-QMMMGPOBSA-N
MW188.18 g/mol
LogP0.53
Rot. Bonds2

About (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol

(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol (PubChem CID 130742500) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol
PubChem CID130742500
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol
SMILESC[C@](N)(CO)c1ncc(F)cc1F
InChIInChI=1S/C8H10F2N2O/c1-8(11,4-13)7-6(10)2-5(9)3-12-7/h2-3,13H,4,11H2,1H3/t8-/m0/s1
InChIKeyXINUJUYPIZWXHY-QMMMGPOBSA-N
XLogP0.53
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.53
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)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol (CID 130742500) is (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol is C[C@](N)(CO)c1ncc(F)cc1F.
What is the InChIKey of (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol?
The InChIKey is XINUJUYPIZWXHY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-8(11,4-13)7-6(10)2-5(9)3-12-7/h2-3,13H,4,11H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol?
(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol has a molecular weight of 188.18 g/mol, XLogP of 0.53, 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)propan-1-ol is sourced from PubChem (CID 130742500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).