azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate

C6H5BCl2F4N2O — CID 87667049

IUPACazanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate
SMILESF[B-](F)(F)F.N#[NH+].Oc1cccc(Cl)c1Cl
InChIInChI=1S/C6H4Cl2O.BF4.N2/c7-4-2-1-3-5(9)6(4)8;2-1(3,4)5;1-2/h1-3,9H;;/q;-1;/p+1
InChIKeyOIGXCQBMKILQDV-UHFFFAOYSA-O
MW278.83 g/mol
LogP2.28
Rot. Bonds

About azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate

azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate (PubChem CID 87667049) has the molecular formula C6H5BCl2F4N2O and a molecular weight of 278.83 g/mol. Its IUPAC name is azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate.

Molecular Properties

Compound Nameazanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate
PubChem CID87667049
Molecular FormulaC6H5BCl2F4N2O
Molecular Weight278.83 g/mol
Exact Mass277.98
IUPAC Nameazanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate
SMILESF[B-](F)(F)F.N#[NH+].Oc1cccc(Cl)c1Cl
InChIInChI=1S/C6H4Cl2O.BF4.N2/c7-4-2-1-3-5(9)6(4)8;2-1(3,4)5;1-2/h1-3,9H;;/q;-1;/p+1
InChIKeyOIGXCQBMKILQDV-UHFFFAOYSA-O
XLogP2.28
TPSA67.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 52.28
H-Bond Donors ≤ 52
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

potassium;2,3-dichlorophenol;hydride
CID 174676852
2,3-dichlorophenol;2,3,4,5-tetrachlorophenol
CID 166770259
potassium (2-chloro-6-hydroxyphenyl)-trifluoroboranuide
CID 156678407
2,3-dichloronaphthalene-1,4-dione;2,3-dichlorophenol
CID 175429838
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283
potassium (2,3-dichlorophenyl)-trifluoroboranuide
CID 63676783
2-amino-3-chlorophenol
CID 19828962
2,6-dichlorobenzenediazonium hexatetrafluoroborate
CID 173331966
3-chlorobenzene-1,2-diol;hydroiodide
CID 70006724
CID 67544547
CID 67544547
bis(2-chlorophenol);tungsten
CID 88625581
2,3-dichlorobenzenecarboselenoyl chloride
CID 150296401

Frequently Asked Questions

What is the IUPAC name of azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate?
The IUPAC name of azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate (CID 87667049) is azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate.
What is the SMILES notation for azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate?
The canonical SMILES for azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate is F[B-](F)(F)F.N#[NH+].Oc1cccc(Cl)c1Cl.
What is the InChIKey of azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate?
The InChIKey is OIGXCQBMKILQDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H4Cl2O.BF4.N2/c7-4-2-1-3-5(9)6(4)8;2-1(3,4)5;1-2/h1-3,9H;;/q;-1;/p+1.
What are the key properties of azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate?
azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate has a molecular weight of 278.83 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate is sourced from PubChem (CID 87667049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).