azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate

C9H13BF4N2O3 — CID 174894869

IUPACazanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
SMILESCOc1cccc(OC)c1OC.F[B-](F)(F)F.N#[NH+]
InChIInChI=1S/C9H12O3.BF4.N2/c1-10-7-5-4-6-8(11-2)9(7)12-3;2-1(3,4)5;1-2/h4-6H,1-3H3;;/q;-1;/p+1
InChIKeyUOHSJLSNMLTJPQ-UHFFFAOYSA-O
MW284.02 g/mol
LogP1.29
Rot. Bonds3

About azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate

azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate (PubChem CID 174894869) has the molecular formula C9H13BF4N2O3 and a molecular weight of 284.02 g/mol. Its IUPAC name is azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate.

Molecular Properties

Compound Nameazanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
PubChem CID174894869
Molecular FormulaC9H13BF4N2O3
Molecular Weight284.02 g/mol
Exact Mass284.10
IUPAC Nameazanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
SMILESCOc1cccc(OC)c1OC.F[B-](F)(F)F.N#[NH+]
InChIInChI=1S/C9H12O3.BF4.N2/c1-10-7-5-4-6-8(11-2)9(7)12-3;2-1(3,4)5;1-2/h4-6H,1-3H3;;/q;-1;/p+1
InChIKeyUOHSJLSNMLTJPQ-UHFFFAOYSA-O
XLogP1.29
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.02
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2,3-dimethoxybenzenediazonium tetratetrafluoroborate
CID 173431119
(2,3-dimethoxyphenyl) trifluoromethanesulfonate
CID 22096593
phenol;1,2,3-trimethoxybenzene
CID 174871155
CID 66772828
CID 66772828
propanal;1,2,3-trimethoxybenzene
CID 174975216
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
CID 67570754
CID 67570754
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840

Frequently Asked Questions

What is the IUPAC name of azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate?
The IUPAC name of azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate (CID 174894869) is azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate.
What is the SMILES notation for azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate?
The canonical SMILES for azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate is COc1cccc(OC)c1OC.F[B-](F)(F)F.N#[NH+].
What is the InChIKey of azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate?
The InChIKey is UOHSJLSNMLTJPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12O3.BF4.N2/c1-10-7-5-4-6-8(11-2)9(7)12-3;2-1(3,4)5;1-2/h4-6H,1-3H3;;/q;-1;/p+1.
What are the key properties of azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate?
azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate has a molecular weight of 284.02 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate is sourced from PubChem (CID 174894869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).