N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride

C7H11FN2O — CID 74952760

IUPACN-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride
SMILESCON=C(F)C1=CCCNC1
InChIInChI=1S/C7H11FN2O/c1-11-10-7(8)6-3-2-4-9-5-6/h3,9H,2,4-5H2,1H3
InChIKeyYEXUKDJHIJAECO-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.84
Rot. Bonds2

About N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride

N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride (PubChem CID 74952760) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride.

Molecular Properties

Compound NameN-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride
PubChem CID74952760
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC NameN-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride
SMILESCON=C(F)C1=CCCNC1
InChIInChI=1S/C7H11FN2O/c1-11-10-7(8)6-3-2-4-9-5-6/h3,9H,2,4-5H2,1H3
InChIKeyYEXUKDJHIJAECO-UHFFFAOYSA-N
XLogP0.84
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride?
The IUPAC name of N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride (CID 74952760) is N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride.
What is the SMILES notation for N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride?
The canonical SMILES for N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride is CON=C(F)C1=CCCNC1.
What is the InChIKey of N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride?
The InChIKey is YEXUKDJHIJAECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-11-10-7(8)6-3-2-4-9-5-6/h3,9H,2,4-5H2,1H3.
What are the key properties of N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride?
N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride has a molecular weight of 158.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl fluoride is sourced from PubChem (CID 74952760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).