borinine;hydrochloride

C5H6BCl — CID 174923968

IUPACborinine;hydrochloride
SMILESCl.b1ccccc1
InChIInChI=1S/C5H5B.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
InChIKeyLJXHUYRIWLKFSL-UHFFFAOYSA-N
MW112.37 g/mol
LogP1.45
Rot. Bonds

About borinine;hydrochloride

borinine;hydrochloride (PubChem CID 174923968) has the molecular formula C5H6BCl and a molecular weight of 112.37 g/mol. Its IUPAC name is borinine;hydrochloride.

Molecular Properties

Compound Nameborinine;hydrochloride
PubChem CID174923968
Molecular FormulaC5H6BCl
Molecular Weight112.37 g/mol
Exact Mass112.03
IUPAC Nameborinine;hydrochloride
SMILESCl.b1ccccc1
InChIInChI=1S/C5H5B.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
InChIKeyLJXHUYRIWLKFSL-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of borinine;hydrochloride?
The IUPAC name of borinine;hydrochloride (CID 174923968) is borinine;hydrochloride.
What is the SMILES notation for borinine;hydrochloride?
The canonical SMILES for borinine;hydrochloride is Cl.b1ccccc1.
What is the InChIKey of borinine;hydrochloride?
The InChIKey is LJXHUYRIWLKFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5B.ClH/c1-2-4-6-5-3-1;/h1-5H;1H.
What are the key properties of borinine;hydrochloride?
borinine;hydrochloride has a molecular weight of 112.37 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for borinine;hydrochloride is sourced from PubChem (CID 174923968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).