(Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine

C15H15FN2O — CID 66559678

IUPAC(Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
SMILESCO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1F
InChIInChI=1S/C15H15FN2O/c1-11-4-3-5-13(17-11)8-6-12-7-9-14(16)15(10-12)18-19-2/h3-5,10,14H,7,9H2,1-2H3/b18-15-
InChIKeyKHPBLEIENWFRAT-SDXDJHTJSA-N
MW258.30 g/mol
LogP2.80
Rot. Bonds1

About (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine

(Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine (PubChem CID 66559678) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
PubChem CID66559678
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name(Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
SMILESCO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1F
InChIInChI=1S/C15H15FN2O/c1-11-4-3-5-13(17-11)8-6-12-7-9-14(16)15(10-12)18-19-2/h3-5,10,14H,7,9H2,1-2H3/b18-15-
InChIKeyKHPBLEIENWFRAT-SDXDJHTJSA-N
XLogP2.80
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.80
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine?
The IUPAC name of (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine (CID 66559678) is (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine.
What is the SMILES notation for (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine?
The canonical SMILES for (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine is CO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1F.
What is the InChIKey of (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine?
The InChIKey is KHPBLEIENWFRAT-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-4-3-5-13(17-11)8-6-12-7-9-14(16)15(10-12)18-19-2/h3-5,10,14H,7,9H2,1-2H3/b18-15-.
What are the key properties of (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine?
(Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine has a molecular weight of 258.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-fluoro-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine is sourced from PubChem (CID 66559678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).