4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine

C9H9FN2 — CID 116641360

IUPAC4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine
SMILESNCCC#Cc1cncc(F)c1
InChIInChI=1S/C9H9FN2/c10-9-5-8(6-12-7-9)3-1-2-4-11/h5-7H,2,4,11H2
InChIKeyREMAQYBNLFBQCZ-UHFFFAOYSA-N
MW164.18 g/mol
LogP0.92
Rot. Bonds1

About 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine

4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine (PubChem CID 116641360) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine
PubChem CID116641360
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine
SMILESNCCC#Cc1cncc(F)c1
InChIInChI=1S/C9H9FN2/c10-9-5-8(6-12-7-9)3-1-2-4-11/h5-7H,2,4,11H2
InChIKeyREMAQYBNLFBQCZ-UHFFFAOYSA-N
XLogP0.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine 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

5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine
CID 106220016
4-(5-fluoro-3-pyridinyl)but-3-ynenitrile
CID 170474269
4-(4-fluorophenyl)but-3-yn-1-amine
CID 116641342
5-(4-aminobut-1-ynyl)-3-bromopyridin-2-amine;dihydrochloride
CID 178024073
6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
CID 106208818
4-(5-but-1-ynyl-3-pyridinyl)but-3-yn-1-ol
CID 144746531
4-(2-methoxypyrimidin-5-yl)but-3-yn-1-amine
CID 130533852
3-bromo-5-(4-chlorobut-1-ynyl)pyridine
CID 170468722
3-(4-chlorobut-1-ynyl)-5-(2-fluoroethoxy)pyridine
CID 80694312
(5-fluoro-3-pyridinyl)methanamine;hydrochloride
CID 84819354
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474
4-(4-chlorophenyl)but-3-yn-1-amine
CID 116641356

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine (CID 116641360) is 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine is NCCC#Cc1cncc(F)c1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine?
The InChIKey is REMAQYBNLFBQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-9-5-8(6-12-7-9)3-1-2-4-11/h5-7H,2,4,11H2.
What are the key properties of 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine?
4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine has a molecular weight of 164.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine is sourced from PubChem (CID 116641360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).