(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol

C8H10F2N2O — CID 55272818

IUPAC(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1c(F)cncc1F
InChIInChI=1S/C8H10F2N2O/c1-4(13)8(11)7-5(9)2-12-3-6(7)10/h2-4,8,13H,11H2,1H3/t4-,8-/m0/s1
InChIKeyZLYNVNCTNJZMQO-NVNXEXLPSA-N
MW188.18 g/mol
LogP0.74
Rot. Bonds2

About (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol

(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol (PubChem CID 55272818) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
PubChem CID55272818
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1c(F)cncc1F
InChIInChI=1S/C8H10F2N2O/c1-4(13)8(11)7-5(9)2-12-3-6(7)10/h2-4,8,13H,11H2,1H3/t4-,8-/m0/s1
InChIKeyZLYNVNCTNJZMQO-NVNXEXLPSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol 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

(1R)-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-amine
CID 130631106
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
(1R,2S)-1-amino-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 131565436
(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
CID 171268660
3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol
CID 164650622
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine
CID 168937466
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol (CID 55272818) is (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol is C[C@H](O)[C@H](N)c1c(F)cncc1F.
What is the InChIKey of (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol?
The InChIKey is ZLYNVNCTNJZMQO-NVNXEXLPSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-4(13)8(11)7-5(9)2-12-3-6(7)10/h2-4,8,13H,11H2,1H3/t4-,8-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol?
(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol has a molecular weight of 188.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 55272818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).