(2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol

C8H10ClFN2O — CID 126782207

IUPAC(2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyFDEYPUQCROENJQ-YFKPBYRVSA-N
MW204.63 g/mol
LogP1.67
Rot. Bonds3

About (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol

(2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol (PubChem CID 126782207) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol
PubChem CID126782207
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name(2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyFDEYPUQCROENJQ-YFKPBYRVSA-N
XLogP1.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol (CID 126782207) is (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol is C[C@@H](CO)Nc1ncc(Cl)cc1F.
What is the InChIKey of (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is FDEYPUQCROENJQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol?
(2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 204.63 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-3-fluoro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 126782207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).