3-fluoro-3,4-dihydropyridin-6-amine

C5H7FN2 — CID 153184439

IUPAC3-fluoro-3,4-dihydropyridin-6-amine
SMILESNC1=CCC(F)C=N1
InChIInChI=1S/C5H7FN2/c6-4-1-2-5(7)8-3-4/h2-4H,1,7H2
InChIKeyWGUOPUWFGYPMIS-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.60
Rot. Bonds

About 3-fluoro-3,4-dihydropyridin-6-amine

3-fluoro-3,4-dihydropyridin-6-amine (PubChem CID 153184439) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 3-fluoro-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name3-fluoro-3,4-dihydropyridin-6-amine
PubChem CID153184439
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name3-fluoro-3,4-dihydropyridin-6-amine
SMILESNC1=CCC(F)C=N1
InChIInChI=1S/C5H7FN2/c6-4-1-2-5(7)8-3-4/h2-4H,1,7H2
InChIKeyWGUOPUWFGYPMIS-UHFFFAOYSA-N
XLogP0.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Fluoro-3,4-dihydropyridine
CID 67779683
5-Amino-3h-pyrrole
CID 142772290
N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
CID 91428814
4-fluoro-3H-pyridin-4-amine
CID 150883510
3,6-Difluoro-3,4-dihydropyridine
CID 156184120
(3R)-3-fluoro-3,4-dihydropyridin-6-amine
CID 164060921
3,4-Dihydropyridin-6-amine
CID 22751226
CID 163431053
CID 163431053
4,4-dideuterio-3H-pyridin-6-amine
CID 172816357

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4-dihydropyridin-6-amine?
The IUPAC name of 3-fluoro-3,4-dihydropyridin-6-amine (CID 153184439) is 3-fluoro-3,4-dihydropyridin-6-amine.
What is the SMILES notation for 3-fluoro-3,4-dihydropyridin-6-amine?
The canonical SMILES for 3-fluoro-3,4-dihydropyridin-6-amine is NC1=CCC(F)C=N1.
What is the InChIKey of 3-fluoro-3,4-dihydropyridin-6-amine?
The InChIKey is WGUOPUWFGYPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-4-1-2-5(7)8-3-4/h2-4H,1,7H2.
What are the key properties of 3-fluoro-3,4-dihydropyridin-6-amine?
3-fluoro-3,4-dihydropyridin-6-amine has a molecular weight of 114.12 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 153184439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).