5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride

C6H10FN3 — CID 138666211

IUPAC5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride
SMILES[H]/N=C(\F)C1=C(N)CNCC1
InChIInChI=1S/C6H10FN3/c7-6(9)4-1-2-10-3-5(4)8/h9-10H,1-3,8H2/b9-6-
InChIKeyQFPIENDVIXBGGL-TWGQIWQCSA-N
MW143.17 g/mol
LogP0.14
Rot. Bonds1

About 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride

5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride (PubChem CID 138666211) has the molecular formula C6H10FN3 and a molecular weight of 143.17 g/mol. Its IUPAC name is 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride.

Molecular Properties

Compound Name5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride
PubChem CID138666211
Molecular FormulaC6H10FN3
Molecular Weight143.17 g/mol
Exact Mass143.09
IUPAC Name5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride
SMILES[H]/N=C(\F)C1=C(N)CNCC1
InChIInChI=1S/C6H10FN3/c7-6(9)4-1-2-10-3-5(4)8/h9-10H,1-3,8H2/b9-6-
InChIKeyQFPIENDVIXBGGL-TWGQIWQCSA-N
XLogP0.14
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride?
The IUPAC name of 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride (CID 138666211) is 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride.
What is the SMILES notation for 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride?
The canonical SMILES for 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride is [H]/N=C(\F)C1=C(N)CNCC1.
What is the InChIKey of 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride?
The InChIKey is QFPIENDVIXBGGL-TWGQIWQCSA-N. The full InChI is InChI=1S/C6H10FN3/c7-6(9)4-1-2-10-3-5(4)8/h9-10H,1-3,8H2/b9-6-.
What are the key properties of 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride?
5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride has a molecular weight of 143.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2,3,6-tetrahydropyridine-4-carboximidoyl fluoride is sourced from PubChem (CID 138666211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).