1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol

C13H14FN3O — CID 82684971

IUPAC1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1cccnc1N
InChIInChI=1S/C13H14FN3O/c14-9-3-4-11(15)10(7-9)12(18)6-8-2-1-5-17-13(8)16/h1-5,7,12,18H,6,15H2,(H2,16,17)
InChIKeyIFTHVJHYNDJMPB-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.66
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol

1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol (PubChem CID 82684971) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
PubChem CID82684971
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1cccnc1N
InChIInChI=1S/C13H14FN3O/c14-9-3-4-11(15)10(7-9)12(18)6-8-2-1-5-17-13(8)16/h1-5,7,12,18H,6,15H2,(H2,16,17)
InChIKeyIFTHVJHYNDJMPB-UHFFFAOYSA-N
XLogP1.66
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol 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

1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 82685101
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 82685676
2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 81447980
1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66070761
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64831592
1-(2-amino-5-bromophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 82703485
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 82685780
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol (CID 82684971) is 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol is Nc1ccc(F)cc1C(O)Cc1cccnc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol?
The InChIKey is IFTHVJHYNDJMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-9-3-4-11(15)10(7-9)12(18)6-8-2-1-5-17-13(8)16/h1-5,7,12,18H,6,15H2,(H2,16,17).
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol has a molecular weight of 247.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol is sourced from PubChem (CID 82684971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).