2-(5-amino-3-pyridinyl)acetyl fluoride

C7H7FN2O — CID 143433366

IUPAC2-(5-amino-3-pyridinyl)acetyl fluoride
SMILESNc1cncc(CC(=O)F)c1
InChIInChI=1S/C7H7FN2O/c8-7(11)2-5-1-6(9)4-10-3-5/h1,3-4H,2,9H2
InChIKeyWGAWLEYGURFHCY-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.70
Rot. Bonds2

About 2-(5-amino-3-pyridinyl)acetyl fluoride

2-(5-amino-3-pyridinyl)acetyl fluoride (PubChem CID 143433366) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 2-(5-amino-3-pyridinyl)acetyl fluoride.

Molecular Properties

Compound Name2-(5-amino-3-pyridinyl)acetyl fluoride
PubChem CID143433366
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name2-(5-amino-3-pyridinyl)acetyl fluoride
SMILESNc1cncc(CC(=O)F)c1
InChIInChI=1S/C7H7FN2O/c8-7(11)2-5-1-6(9)4-10-3-5/h1,3-4H,2,9H2
InChIKeyWGAWLEYGURFHCY-UHFFFAOYSA-N
XLogP0.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-pyridinyl)acetyl fluoride?
The IUPAC name of 2-(5-amino-3-pyridinyl)acetyl fluoride (CID 143433366) is 2-(5-amino-3-pyridinyl)acetyl fluoride.
What is the SMILES notation for 2-(5-amino-3-pyridinyl)acetyl fluoride?
The canonical SMILES for 2-(5-amino-3-pyridinyl)acetyl fluoride is Nc1cncc(CC(=O)F)c1.
What is the InChIKey of 2-(5-amino-3-pyridinyl)acetyl fluoride?
The InChIKey is WGAWLEYGURFHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c8-7(11)2-5-1-6(9)4-10-3-5/h1,3-4H,2,9H2.
What are the key properties of 2-(5-amino-3-pyridinyl)acetyl fluoride?
2-(5-amino-3-pyridinyl)acetyl fluoride has a molecular weight of 154.14 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-pyridinyl)acetyl fluoride is sourced from PubChem (CID 143433366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).