6-fluoro-1,2-dihydropyridin-2-amine

C5H7FN2 — CID 129172183

IUPAC6-fluoro-1,2-dihydropyridin-2-amine
SMILESNC1C=CC=C(F)N1
InChIInChI=1S/C5H7FN2/c6-4-2-1-3-5(7)8-4/h1-3,5,8H,7H2
InChIKeyJSERLGLODSGUKU-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.24
Rot. Bonds

About 6-fluoro-1,2-dihydropyridin-2-amine

6-fluoro-1,2-dihydropyridin-2-amine (PubChem CID 129172183) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 6-fluoro-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-1,2-dihydropyridin-2-amine
PubChem CID129172183
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name6-fluoro-1,2-dihydropyridin-2-amine
SMILESNC1C=CC=C(F)N1
InChIInChI=1S/C5H7FN2/c6-4-2-1-3-5(7)8-4/h1-3,5,8H,7H2
InChIKeyJSERLGLODSGUKU-UHFFFAOYSA-N
XLogP0.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2-dihydropyridin-2-amine?
The IUPAC name of 6-fluoro-1,2-dihydropyridin-2-amine (CID 129172183) is 6-fluoro-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 6-fluoro-1,2-dihydropyridin-2-amine?
The canonical SMILES for 6-fluoro-1,2-dihydropyridin-2-amine is NC1C=CC=C(F)N1.
What is the InChIKey of 6-fluoro-1,2-dihydropyridin-2-amine?
The InChIKey is JSERLGLODSGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-4-2-1-3-5(7)8-4/h1-3,5,8H,7H2.
What are the key properties of 6-fluoro-1,2-dihydropyridin-2-amine?
6-fluoro-1,2-dihydropyridin-2-amine has a molecular weight of 114.12 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 129172183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).