2-fluoro-1,2-dihydropyridin-4-amine

C5H7FN2 — CID 89060898

IUPAC2-fluoro-1,2-dihydropyridin-4-amine
SMILESNC1=CC(F)NC=C1
InChIInChI=1S/C5H7FN2/c6-5-3-4(7)1-2-8-5/h1-3,5,8H,7H2
InChIKeyKOBWLVBVHDENON-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.24
Rot. Bonds

About 2-fluoro-1,2-dihydropyridin-4-amine

2-fluoro-1,2-dihydropyridin-4-amine (PubChem CID 89060898) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-fluoro-1,2-dihydropyridin-4-amine.

Molecular Properties

Compound Name2-fluoro-1,2-dihydropyridin-4-amine
PubChem CID89060898
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-fluoro-1,2-dihydropyridin-4-amine
SMILESNC1=CC(F)NC=C1
InChIInChI=1S/C5H7FN2/c6-5-3-4(7)1-2-8-5/h1-3,5,8H,7H2
InChIKeyKOBWLVBVHDENON-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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Related Compounds

Dihydropyridines
CID 407038
2-Fluoro-2-chloropyridine
CID 67167547
Dihydro 4-dimethylamino pyridine
CID 424917
3-Amino-dihydropyridine
CID 5245632
AC1O0S2S
CID 6100695
3-Aminoazepine
CID 18755303
2,4-Diaminodihydropyridin
CID 129629608
Diaminodihydropyridine
CID 148062134
4-Fluoro-1,2-dihydropyridine
CID 18523056
2,3-Difluoro-1,2-dihydropyridine
CID 18619801
2,4-Difluoro-1,2-dihydropyridine
CID 18619816
2-Fluoro-1,2-dihydropyridine
CID 18619817

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,2-dihydropyridin-4-amine?
The IUPAC name of 2-fluoro-1,2-dihydropyridin-4-amine (CID 89060898) is 2-fluoro-1,2-dihydropyridin-4-amine.
What is the SMILES notation for 2-fluoro-1,2-dihydropyridin-4-amine?
The canonical SMILES for 2-fluoro-1,2-dihydropyridin-4-amine is NC1=CC(F)NC=C1.
What is the InChIKey of 2-fluoro-1,2-dihydropyridin-4-amine?
The InChIKey is KOBWLVBVHDENON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-5-3-4(7)1-2-8-5/h1-3,5,8H,7H2.
What are the key properties of 2-fluoro-1,2-dihydropyridin-4-amine?
2-fluoro-1,2-dihydropyridin-4-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 2-fluoro-1,2-dihydropyridin-4-amine is sourced from PubChem (CID 89060898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).