tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide

C8BF4N4- — CID 139050302

IUPACtricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide
SMILESN#C[B-](C#N)(C#N)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8BF4N4/c10-5-4(9(1-14,2-15)3-16)6(11)8(13)17-7(5)12/q-1
InChIKeyUHLPNRZXFIDFKI-UHFFFAOYSA-N
MW238.92 g/mol
LogP0.48
Rot. Bonds1

About tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide

tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide (PubChem CID 139050302) has the molecular formula C8BF4N4- and a molecular weight of 238.92 g/mol. Its IUPAC name is tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide.

Molecular Properties

Compound Nametricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide
PubChem CID139050302
Molecular FormulaC8BF4N4-
Molecular Weight238.92 g/mol
Exact Mass239.02
IUPAC Nametricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide
SMILESN#C[B-](C#N)(C#N)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8BF4N4/c10-5-4(9(1-14,2-15)3-16)6(11)8(13)17-7(5)12/q-1
InChIKeyUHLPNRZXFIDFKI-UHFFFAOYSA-N
XLogP0.48
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.92
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide?
The IUPAC name of tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide (CID 139050302) is tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide.
What is the SMILES notation for tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide?
The canonical SMILES for tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide is N#C[B-](C#N)(C#N)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide?
The InChIKey is UHLPNRZXFIDFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8BF4N4/c10-5-4(9(1-14,2-15)3-16)6(11)8(13)17-7(5)12/q-1.
What are the key properties of tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide?
tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide has a molecular weight of 238.92 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide is sourced from PubChem (CID 139050302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).