4-fluoro-3,6-dihydro-2H-pyridin-1-amine

C5H9FN2 — CID 122468818

IUPAC4-fluoro-3,6-dihydro-2H-pyridin-1-amine
SMILESNN1CC=C(F)CC1
InChIInChI=1S/C5H9FN2/c6-5-1-3-8(7)4-2-5/h1H,2-4,7H2
InChIKeyJHIGJLBEVROAQJ-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.42
Rot. Bonds

About 4-fluoro-3,6-dihydro-2H-pyridin-1-amine

4-fluoro-3,6-dihydro-2H-pyridin-1-amine (PubChem CID 122468818) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 4-fluoro-3,6-dihydro-2H-pyridin-1-amine.

Molecular Properties

Compound Name4-fluoro-3,6-dihydro-2H-pyridin-1-amine
PubChem CID122468818
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name4-fluoro-3,6-dihydro-2H-pyridin-1-amine
SMILESNN1CC=C(F)CC1
InChIInChI=1S/C5H9FN2/c6-5-1-3-8(7)4-2-5/h1H,2-4,7H2
InChIKeyJHIGJLBEVROAQJ-UHFFFAOYSA-N
XLogP0.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,6-dihydro-2H-pyridin-1-amine?
The IUPAC name of 4-fluoro-3,6-dihydro-2H-pyridin-1-amine (CID 122468818) is 4-fluoro-3,6-dihydro-2H-pyridin-1-amine.
What is the SMILES notation for 4-fluoro-3,6-dihydro-2H-pyridin-1-amine?
The canonical SMILES for 4-fluoro-3,6-dihydro-2H-pyridin-1-amine is NN1CC=C(F)CC1.
What is the InChIKey of 4-fluoro-3,6-dihydro-2H-pyridin-1-amine?
The InChIKey is JHIGJLBEVROAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c6-5-1-3-8(7)4-2-5/h1H,2-4,7H2.
What are the key properties of 4-fluoro-3,6-dihydro-2H-pyridin-1-amine?
4-fluoro-3,6-dihydro-2H-pyridin-1-amine has a molecular weight of 116.14 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,6-dihydro-2H-pyridin-1-amine is sourced from PubChem (CID 122468818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).