(5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride

C8H13FN2O — CID 10197899

IUPAC(5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride
SMILESCO/N=C(/F)C1=CCCN(C)C1
InChIInChI=1S/C8H13FN2O/c1-11-5-3-4-7(6-11)8(9)10-12-2/h4H,3,5-6H2,1-2H3/b10-8+
InChIKeyZAKFRDRXPRSOEP-CSKARUKUSA-N
MW172.20 g/mol
LogP1.18
Rot. Bonds2

About (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride

(5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride (PubChem CID 10197899) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride.

Molecular Properties

Compound Name(5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride
PubChem CID10197899
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name(5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride
SMILESCO/N=C(/F)C1=CCCN(C)C1
InChIInChI=1S/C8H13FN2O/c1-11-5-3-4-7(6-11)8(9)10-12-2/h4H,3,5-6H2,1-2H3/b10-8+
InChIKeyZAKFRDRXPRSOEP-CSKARUKUSA-N
XLogP1.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
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 (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride?
The IUPAC name of (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride (CID 10197899) is (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride.
What is the SMILES notation for (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride?
The canonical SMILES for (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride is CO/N=C(/F)C1=CCCN(C)C1.
What is the InChIKey of (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride?
The InChIKey is ZAKFRDRXPRSOEP-CSKARUKUSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-11-5-3-4-7(6-11)8(9)10-12-2/h4H,3,5-6H2,1-2H3/b10-8+.
What are the key properties of (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride?
(5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride has a molecular weight of 172.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl fluoride is sourced from PubChem (CID 10197899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).