boric acid;pyridine

C5H17B4NO12 — CID 157289203

IUPACboric acid;pyridine
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccncc1
InChIInChI=1S/C5H5N.4BH3O3/c1-2-4-6-5-3-1;4*2-1(3)4/h1-5H;4*2-4H
InChIKeyBAPFUDVRQKNPIH-UHFFFAOYSA-N
MW326.43 g/mol
LogP-7.13
Rot. Bonds

About boric acid;pyridine

boric acid;pyridine (PubChem CID 157289203) has the molecular formula C5H17B4NO12 and a molecular weight of 326.43 g/mol. Its IUPAC name is boric acid;pyridine.

Molecular Properties

Compound Nameboric acid;pyridine
PubChem CID157289203
Molecular FormulaC5H17B4NO12
Molecular Weight326.43 g/mol
Exact Mass327.11
IUPAC Nameboric acid;pyridine
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccncc1
InChIInChI=1S/C5H5N.4BH3O3/c1-2-4-6-5-3-1;4*2-1(3)4/h1-5H;4*2-4H
InChIKeyBAPFUDVRQKNPIH-UHFFFAOYSA-N
XLogP-7.13
TPSA255.65 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500326.43
LogP ≤ 5-7.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

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CID 14201778

Frequently Asked Questions

What is the IUPAC name of boric acid;pyridine?
The IUPAC name of boric acid;pyridine (CID 157289203) is boric acid;pyridine.
What is the SMILES notation for boric acid;pyridine?
The canonical SMILES for boric acid;pyridine is OB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccncc1.
What is the InChIKey of boric acid;pyridine?
The InChIKey is BAPFUDVRQKNPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.4BH3O3/c1-2-4-6-5-3-1;4*2-1(3)4/h1-5H;4*2-4H.
What are the key properties of boric acid;pyridine?
boric acid;pyridine has a molecular weight of 326.43 g/mol, XLogP of -7.13, 0 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;pyridine is sourced from PubChem (CID 157289203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).