5-fluoro-2-methylidenepyridin-3-imine

C6H5FN2 — CID 144500231

IUPAC5-fluoro-2-methylidenepyridin-3-imine
SMILES[H]/N=C1\C=C(F)C=NC1=C
InChIInChI=1S/C6H5FN2/c1-4-6(8)2-5(7)3-9-4/h2-3,8H,1H2/b8-6+
InChIKeyKWRIBMYNPCVMJC-SOFGYWHQSA-N
MW124.12 g/mol
LogP1.46
Rot. Bonds

About 5-fluoro-2-methylidenepyridin-3-imine

5-fluoro-2-methylidenepyridin-3-imine (PubChem CID 144500231) has the molecular formula C6H5FN2 and a molecular weight of 124.12 g/mol. Its IUPAC name is 5-fluoro-2-methylidenepyridin-3-imine.

Molecular Properties

Compound Name5-fluoro-2-methylidenepyridin-3-imine
PubChem CID144500231
Molecular FormulaC6H5FN2
Molecular Weight124.12 g/mol
Exact Mass124.04
IUPAC Name5-fluoro-2-methylidenepyridin-3-imine
SMILES[H]/N=C1\C=C(F)C=NC1=C
InChIInChI=1S/C6H5FN2/c1-4-6(8)2-5(7)3-9-4/h2-3,8H,1H2/b8-6+
InChIKeyKWRIBMYNPCVMJC-SOFGYWHQSA-N
XLogP1.46
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-2-methylidenepyridin-3-imine?
The IUPAC name of 5-fluoro-2-methylidenepyridin-3-imine (CID 144500231) is 5-fluoro-2-methylidenepyridin-3-imine.
What is the SMILES notation for 5-fluoro-2-methylidenepyridin-3-imine?
The canonical SMILES for 5-fluoro-2-methylidenepyridin-3-imine is [H]/N=C1\C=C(F)C=NC1=C.
What is the InChIKey of 5-fluoro-2-methylidenepyridin-3-imine?
The InChIKey is KWRIBMYNPCVMJC-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H5FN2/c1-4-6(8)2-5(7)3-9-4/h2-3,8H,1H2/b8-6+.
What are the key properties of 5-fluoro-2-methylidenepyridin-3-imine?
5-fluoro-2-methylidenepyridin-3-imine has a molecular weight of 124.12 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylidenepyridin-3-imine is sourced from PubChem (CID 144500231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).