3-amino-2-(3-fluoro-2-pyridinyl)phenol

C11H9FN2O — CID 135788302

IUPAC3-amino-2-(3-fluoro-2-pyridinyl)phenol
SMILESNc1cccc(O)c1-c1ncccc1F
InChIInChI=1S/C11H9FN2O/c12-7-3-2-6-14-11(7)10-8(13)4-1-5-9(10)15/h1-6,15H,13H2
InChIKeyASSAGCSUXCIUNH-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.18
Rot. Bonds1

About 3-amino-2-(3-fluoro-2-pyridinyl)phenol

3-amino-2-(3-fluoro-2-pyridinyl)phenol (PubChem CID 135788302) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 3-amino-2-(3-fluoro-2-pyridinyl)phenol.

Molecular Properties

Compound Name3-amino-2-(3-fluoro-2-pyridinyl)phenol
PubChem CID135788302
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name3-amino-2-(3-fluoro-2-pyridinyl)phenol
SMILESNc1cccc(O)c1-c1ncccc1F
InChIInChI=1S/C11H9FN2O/c12-7-3-2-6-14-11(7)10-8(13)4-1-5-9(10)15/h1-6,15H,13H2
InChIKeyASSAGCSUXCIUNH-UHFFFAOYSA-N
XLogP2.18
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-fluoro-2-pyridinyl)phenol?
The IUPAC name of 3-amino-2-(3-fluoro-2-pyridinyl)phenol (CID 135788302) is 3-amino-2-(3-fluoro-2-pyridinyl)phenol.
What is the SMILES notation for 3-amino-2-(3-fluoro-2-pyridinyl)phenol?
The canonical SMILES for 3-amino-2-(3-fluoro-2-pyridinyl)phenol is Nc1cccc(O)c1-c1ncccc1F.
What is the InChIKey of 3-amino-2-(3-fluoro-2-pyridinyl)phenol?
The InChIKey is ASSAGCSUXCIUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-7-3-2-6-14-11(7)10-8(13)4-1-5-9(10)15/h1-6,15H,13H2.
What are the key properties of 3-amino-2-(3-fluoro-2-pyridinyl)phenol?
3-amino-2-(3-fluoro-2-pyridinyl)phenol has a molecular weight of 204.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-fluoro-2-pyridinyl)phenol is sourced from PubChem (CID 135788302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).