1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate

C10H10BF4IN2 — CID 2734710

IUPAC1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1cc[n+]([I-][n+]2ccccc2)cc1
InChIInChI=1S/C10H10IN2.BF4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H;/q+1;-1
InChIKeyBMDSRCBKJZCUBH-UHFFFAOYSA-N
MW371.91 g/mol
LogP-1.12
Rot. Bonds2

About 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate

1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate (PubChem CID 2734710) has the molecular formula C10H10BF4IN2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate
PubChem CID2734710
Molecular FormulaC10H10BF4IN2
Molecular Weight371.91 g/mol
Exact Mass371.99
IUPAC Name1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1cc[n+]([I-][n+]2ccccc2)cc1
InChIInChI=1S/C10H10IN2.BF4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H;/q+1;-1
InChIKeyBMDSRCBKJZCUBH-UHFFFAOYSA-N
XLogP-1.12
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate?
The IUPAC name of 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate (CID 2734710) is 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate?
The canonical SMILES for 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate is F[B-](F)(F)F.c1cc[n+]([I-][n+]2ccccc2)cc1.
What is the InChIKey of 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate?
The InChIKey is BMDSRCBKJZCUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN2.BF4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H;/q+1;-1.
What are the key properties of 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate?
1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate has a molecular weight of 371.91 g/mol, XLogP of -1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-1-ium-1-yliodanuidylpyridin-1-ium tetrafluoroborate is sourced from PubChem (CID 2734710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).