5-chloroquinoline-8-diazonium tetrafluoroborate

C9H5BClF4N3 — CID 116785907

IUPAC5-chloroquinoline-8-diazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(Cl)c2cccnc12
InChIInChI=1S/C9H5ClN3.BF4/c10-7-3-4-8(13-11)9-6(7)2-1-5-12-9;2-1(3,4)5/h1-5H;/q+1;-1
InChIKeyQSBJWHCUKZLZEO-UHFFFAOYSA-N
MW277.42 g/mol
LogP4.67
Rot. Bonds

About 5-chloroquinoline-8-diazonium tetrafluoroborate

5-chloroquinoline-8-diazonium tetrafluoroborate (PubChem CID 116785907) has the molecular formula C9H5BClF4N3 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-chloroquinoline-8-diazonium tetrafluoroborate.

Molecular Properties

Compound Name5-chloroquinoline-8-diazonium tetrafluoroborate
PubChem CID116785907
Molecular FormulaC9H5BClF4N3
Molecular Weight277.42 g/mol
Exact Mass277.02
IUPAC Name5-chloroquinoline-8-diazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(Cl)c2cccnc12
InChIInChI=1S/C9H5ClN3.BF4/c10-7-3-4-8(13-11)9-6(7)2-1-5-12-9;2-1(3,4)5/h1-5H;/q+1;-1
InChIKeyQSBJWHCUKZLZEO-UHFFFAOYSA-N
XLogP4.67
TPSA41.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
CID 172791001
CID 172791001
CID 6367063
CID 6367063
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
8-chloro-5-fluoroquinoline
CID 53435993
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
CID 12945983
CID 12945983
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide
CID 106746593

Frequently Asked Questions

What is the IUPAC name of 5-chloroquinoline-8-diazonium tetrafluoroborate?
The IUPAC name of 5-chloroquinoline-8-diazonium tetrafluoroborate (CID 116785907) is 5-chloroquinoline-8-diazonium tetrafluoroborate.
What is the SMILES notation for 5-chloroquinoline-8-diazonium tetrafluoroborate?
The canonical SMILES for 5-chloroquinoline-8-diazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloroquinoline-8-diazonium tetrafluoroborate?
The InChIKey is QSBJWHCUKZLZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN3.BF4/c10-7-3-4-8(13-11)9-6(7)2-1-5-12-9;2-1(3,4)5/h1-5H;/q+1;-1.
What are the key properties of 5-chloroquinoline-8-diazonium tetrafluoroborate?
5-chloroquinoline-8-diazonium tetrafluoroborate has a molecular weight of 277.42 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroquinoline-8-diazonium tetrafluoroborate is sourced from PubChem (CID 116785907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).