phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate

C11H10BF4N3 — CID 137235178

IUPACphenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(/N=N/c2cc[nH+]cc2)cc1
InChIInChI=1S/C11H9N3.BF4/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11;2-1(3,4)5/h1-9H;/q;-1/p+1/b14-13+;
InChIKeyWVJPLGZYOCHCHN-IERUDJENSA-O
MW271.03 g/mol
LogP4.22
Rot. Bonds2

About phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate

phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate (PubChem CID 137235178) has the molecular formula C11H10BF4N3 and a molecular weight of 271.03 g/mol. Its IUPAC name is phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate.

Molecular Properties

Compound Namephenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate
PubChem CID137235178
Molecular FormulaC11H10BF4N3
Molecular Weight271.03 g/mol
Exact Mass271.09
IUPAC Namephenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(/N=N/c2cc[nH+]cc2)cc1
InChIInChI=1S/C11H9N3.BF4/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11;2-1(3,4)5/h1-9H;/q;-1/p+1/b14-13+;
InChIKeyWVJPLGZYOCHCHN-IERUDJENSA-O
XLogP4.22
TPSA38.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.03
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(diphenyldiazene);uranium;vanadium
CID 158886927
diphenyldiazene;hydrofluoride
CID 174857584
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phenyl-[4-(2-phenylphenyl)phenyl]diazene
CID 168866136
N-chloro-4-phenyldiazenylaniline
CID 88790195
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
diphenyldiazene;urea
CID 175083568
1H-imidazol-3-ium-2-yl(phenyl)diazene
CID 136701534
phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene
CID 58982593
[4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene
CID 132507261
CID 134935928
CID 134935928
1,3-benzotellurazol-3-ium tetrafluoroborate
CID 88683711

Frequently Asked Questions

What is the IUPAC name of phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate?
The IUPAC name of phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate (CID 137235178) is phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate.
What is the SMILES notation for phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate?
The canonical SMILES for phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate is F[B-](F)(F)F.c1ccc(/N=N/c2cc[nH+]cc2)cc1.
What is the InChIKey of phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate?
The InChIKey is WVJPLGZYOCHCHN-IERUDJENSA-O. The full InChI is InChI=1S/C11H9N3.BF4/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11;2-1(3,4)5/h1-9H;/q;-1/p+1/b14-13+;.
What are the key properties of phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate?
phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate has a molecular weight of 271.03 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-1-ium-4-yl)diazene tetrafluoroborate is sourced from PubChem (CID 137235178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).