boric acid;3-methylpyridine;tetrafluoroborate

C6H10B2F4NO3- — CID 174506250

IUPACboric acid;3-methylpyridine;tetrafluoroborate
SMILESCc1cccnc1.F[B-](F)(F)F.OB(O)O
InChIInChI=1S/C6H7N.BF4.BH3O3/c1-6-3-2-4-7-5-6;2-1(3,4)5;2-1(3)4/h2-5H,1H3;;2-4H/q;-1;
InChIKeyAWNXJVOAVKZQIZ-UHFFFAOYSA-N
MW241.77 g/mol
LogP0.64
Rot. Bonds

About boric acid;3-methylpyridine;tetrafluoroborate

boric acid;3-methylpyridine;tetrafluoroborate (PubChem CID 174506250) has the molecular formula C6H10B2F4NO3- and a molecular weight of 241.77 g/mol. Its IUPAC name is boric acid;3-methylpyridine;tetrafluoroborate.

Molecular Properties

Compound Nameboric acid;3-methylpyridine;tetrafluoroborate
PubChem CID174506250
Molecular FormulaC6H10B2F4NO3-
Molecular Weight241.77 g/mol
Exact Mass242.08
IUPAC Nameboric acid;3-methylpyridine;tetrafluoroborate
SMILESCc1cccnc1.F[B-](F)(F)F.OB(O)O
InChIInChI=1S/C6H7N.BF4.BH3O3/c1-6-3-2-4-7-5-6;2-1(3,4)5;2-1(3)4/h2-5H,1H3;;2-4H/q;-1;
InChIKeyAWNXJVOAVKZQIZ-UHFFFAOYSA-N
XLogP0.64
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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bis(3-methylpyridine);platinum(2+);dichloride
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3-methylpyridine;4-methylpyridine
CID 21425791
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
CID 119057635
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
3-chloropyridine;3-methylpyridine
CID 174960532
methoxyethane;3-methylpyridine
CID 144662760

Frequently Asked Questions

What is the IUPAC name of boric acid;3-methylpyridine;tetrafluoroborate?
The IUPAC name of boric acid;3-methylpyridine;tetrafluoroborate (CID 174506250) is boric acid;3-methylpyridine;tetrafluoroborate.
What is the SMILES notation for boric acid;3-methylpyridine;tetrafluoroborate?
The canonical SMILES for boric acid;3-methylpyridine;tetrafluoroborate is Cc1cccnc1.F[B-](F)(F)F.OB(O)O.
What is the InChIKey of boric acid;3-methylpyridine;tetrafluoroborate?
The InChIKey is AWNXJVOAVKZQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.BF4.BH3O3/c1-6-3-2-4-7-5-6;2-1(3,4)5;2-1(3)4/h2-5H,1H3;;2-4H/q;-1;.
What are the key properties of boric acid;3-methylpyridine;tetrafluoroborate?
boric acid;3-methylpyridine;tetrafluoroborate has a molecular weight of 241.77 g/mol, XLogP of 0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;3-methylpyridine;tetrafluoroborate is sourced from PubChem (CID 174506250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).