3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium

C11H8F2N2 — CID 58567867

IUPAC3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium
SMILESC=[n+]1cc(F)cc(F)c1=C1C=CC=C[N-]1
InChIInChI=1S/C11H8F2N2/c1-15-7-8(12)6-9(13)11(15)10-4-2-3-5-14-10/h2-7H,1H2
InChIKeyKSIPVACBIHJHCY-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.46
Rot. Bonds

About 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium

3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium (PubChem CID 58567867) has the molecular formula C11H8F2N2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium.

Molecular Properties

Compound Name3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium
PubChem CID58567867
Molecular FormulaC11H8F2N2
Molecular Weight206.19 g/mol
Exact Mass206.07
IUPAC Name3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium
SMILESC=[n+]1cc(F)cc(F)c1=C1C=CC=C[N-]1
InChIInChI=1S/C11H8F2N2/c1-15-7-8(12)6-9(13)11(15)10-4-2-3-5-14-10/h2-7H,1H2
InChIKeyKSIPVACBIHJHCY-UHFFFAOYSA-N
XLogP1.46
TPSA20.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium?
The IUPAC name of 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium (CID 58567867) is 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium.
What is the SMILES notation for 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium?
The canonical SMILES for 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium is C=[n+]1cc(F)cc(F)c1=C1C=CC=C[N-]1.
What is the InChIKey of 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium?
The InChIKey is KSIPVACBIHJHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2/c1-15-7-8(12)6-9(13)11(15)10-4-2-3-5-14-10/h2-7H,1H2.
What are the key properties of 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium?
3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium has a molecular weight of 206.19 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-methylidene-2-pyridin-1-id-2-ylidenepyridin-1-ium is sourced from PubChem (CID 58567867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).