6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate

C5H7BF5N3 — CID 19788545

IUPAC6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESC[n+]1nc(F)ccc1N.F[B-](F)(F)F
InChIInChI=1S/C5H6FN3.BF4/c1-9-5(7)3-2-4(6)8-9;2-1(3,4)5/h2-3,7H,1H3;/q;-1/p+1
InChIKeyXCNKWQVELOIIER-UHFFFAOYSA-O
MW214.93 g/mol
LogP0.93
Rot. Bonds

About 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate

6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate (PubChem CID 19788545) has the molecular formula C5H7BF5N3 and a molecular weight of 214.93 g/mol. Its IUPAC name is 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate.

Molecular Properties

Compound Name6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate
PubChem CID19788545
Molecular FormulaC5H7BF5N3
Molecular Weight214.93 g/mol
Exact Mass215.07
IUPAC Name6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESC[n+]1nc(F)ccc1N.F[B-](F)(F)F
InChIInChI=1S/C5H6FN3.BF4/c1-9-5(7)3-2-4(6)8-9;2-1(3,4)5/h2-3,7H,1H3;/q;-1/p+1
InChIKeyXCNKWQVELOIIER-UHFFFAOYSA-O
XLogP0.93
TPSA42.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.93
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
CID 19788525
6-Fluoro-2-methylpyridazin-2-ium-3-amine
CID 19788546
6-Fluoro-2-prop-2-enylpyridazin-2-ium-3-amine
CID 53979722
6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine
CID 54088032
6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine
CID 54129986
6-Fluoro-N-methylpyridazin-3-amine
CID 134691882
2-Methylpyridazin-2-ium-3-amine tetrafluoroborate
CID 19788480
2-Methylpyridazin-2-ium-3-amine
CID 19788481
3,6-Difluoro-1-methylpyridazinium tetrafluoroborate
CID 19788509
6-Fluoro-2-prop-2-enylpyridazin-2-ium-3-amine bromide
CID 70354162
6-fluoro-N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate
CID 88601735
6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine tetrafluoroborate
CID 88601916

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate?
The IUPAC name of 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate (CID 19788545) is 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate.
What is the SMILES notation for 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate?
The canonical SMILES for 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate is C[n+]1nc(F)ccc1N.F[B-](F)(F)F.
What is the InChIKey of 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate?
The InChIKey is XCNKWQVELOIIER-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6FN3.BF4/c1-9-5(7)3-2-4(6)8-9;2-1(3,4)5/h2-3,7H,1H3;/q;-1/p+1.
What are the key properties of 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate?
6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate has a molecular weight of 214.93 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylpyridazin-2-ium-3-amine tetrafluoroborate is sourced from PubChem (CID 19788545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).