(3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide

C7H8BF3N- — CID 57384957

IUPAC(3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide
SMILESCc1[c-][n+]([B-](F)(F)F)cc(C)c1
InChIInChI=1S/C7H8BF3N/c1-6-3-7(2)5-12(4-6)8(9,10)11/h3-4H,1-2H3/q-1
InChIKeyRZPLEEIBSCXKII-UHFFFAOYSA-N
MW173.95 g/mol
LogP1.58
Rot. Bonds1

About (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide

(3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide (PubChem CID 57384957) has the molecular formula C7H8BF3N- and a molecular weight of 173.95 g/mol. Its IUPAC name is (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide.

Molecular Properties

Compound Name(3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide
PubChem CID57384957
Molecular FormulaC7H8BF3N-
Molecular Weight173.95 g/mol
Exact Mass174.07
IUPAC Name(3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide
SMILESCc1[c-][n+]([B-](F)(F)F)cc(C)c1
InChIInChI=1S/C7H8BF3N/c1-6-3-7(2)5-12(4-6)8(9,10)11/h3-4H,1-2H3/q-1
InChIKeyRZPLEEIBSCXKII-UHFFFAOYSA-N
XLogP1.58
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.95
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethylpyrid-2-yllithium
CID 129860319
(4,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide
CID 57384955
3,5-dimethyl-2H-pyridin-2-ide;tungsten
CID 59965051
3,5-dimethyl-2H-pyridin-2-ide;rubidium(1+)
CID 88589673
3,5-dimethyl-2H-pyridin-2-ide;tungsten(2+)
CID 18717336
lithium (4,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide
CID 57384954
lithium (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide
CID 57384956

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide?
The IUPAC name of (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide (CID 57384957) is (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide.
What is the SMILES notation for (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide?
The canonical SMILES for (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide is Cc1[c-][n+]([B-](F)(F)F)cc(C)c1.
What is the InChIKey of (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide?
The InChIKey is RZPLEEIBSCXKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BF3N/c1-6-3-7(2)5-12(4-6)8(9,10)11/h3-4H,1-2H3/q-1.
What are the key properties of (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide?
(3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide has a molecular weight of 173.95 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-2H-pyridin-1-ium-2-id-1-yl)-trifluoroboranuide is sourced from PubChem (CID 57384957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).