2-fluoro-2,3-dihydropyridin-6-amine

C5H7FN2 — CID 139521819

IUPAC2-fluoro-2,3-dihydropyridin-6-amine
SMILESNC1=NC(F)CC=C1
InChIInChI=1S/C5H7FN2/c6-4-2-1-3-5(7)8-4/h1,3-4H,2H2,(H2,7,8)
InChIKeyGDPNQKLIYNPGBB-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.60
Rot. Bonds

About 2-fluoro-2,3-dihydropyridin-6-amine

2-fluoro-2,3-dihydropyridin-6-amine (PubChem CID 139521819) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-fluoro-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name2-fluoro-2,3-dihydropyridin-6-amine
PubChem CID139521819
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-fluoro-2,3-dihydropyridin-6-amine
SMILESNC1=NC(F)CC=C1
InChIInChI=1S/C5H7FN2/c6-4-2-1-3-5(7)8-4/h1,3-4H,2H2,(H2,7,8)
InChIKeyGDPNQKLIYNPGBB-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

Computed Properties (RDKit)

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

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Related Compounds

2,6-Bisiminopyridine
CID 22645801
5,6-Dihydropyridin-2-imine
CID 54453157
2-(Trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 67555171
3-(Trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 118088109
3-Fluoro-2,3-dihydropyridin-6-amine
CID 148033764
3,3-difluoro-2H-pyridin-6-amine
CID 149724206
4-(Trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 162590833
N'-[(E)-2-fluoropent-2-enyl]ethanimidamide
CID 142125234
3-fluoro-3H-pyridin-6-imine
CID 146674689
4-(Difluoromethyl)-2,3-dihydropyridin-6-amine
CID 162594238
2-Pyridinamine, 5,6-dihydro-5-methyl-
CID 45116662
2,3-Dihydropyridine-2,6-diamine
CID 68126080

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-dihydropyridin-6-amine?
The IUPAC name of 2-fluoro-2,3-dihydropyridin-6-amine (CID 139521819) is 2-fluoro-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 2-fluoro-2,3-dihydropyridin-6-amine?
The canonical SMILES for 2-fluoro-2,3-dihydropyridin-6-amine is NC1=NC(F)CC=C1.
What is the InChIKey of 2-fluoro-2,3-dihydropyridin-6-amine?
The InChIKey is GDPNQKLIYNPGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-4-2-1-3-5(7)8-4/h1,3-4H,2H2,(H2,7,8).
What are the key properties of 2-fluoro-2,3-dihydropyridin-6-amine?
2-fluoro-2,3-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 2-fluoro-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 139521819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).