azaborinine;borinine

C9H9B2N — CID 175321486

IUPACazaborinine;borinine
SMILESb1ccccc1.b1ccccn1
InChIInChI=1S/C5H5B.C4H4BN/c2*1-2-4-6-5-3-1/h1-5H;1-4H
InChIKeyCZKVHYLOQMGCRK-UHFFFAOYSA-N
MW152.80 g/mol
LogP1.44
Rot. Bonds

About azaborinine;borinine

azaborinine;borinine (PubChem CID 175321486) has the molecular formula C9H9B2N and a molecular weight of 152.80 g/mol. Its IUPAC name is azaborinine;borinine.

Molecular Properties

Compound Nameazaborinine;borinine
PubChem CID175321486
Molecular FormulaC9H9B2N
Molecular Weight152.80 g/mol
Exact Mass153.09
IUPAC Nameazaborinine;borinine
SMILESb1ccccc1.b1ccccn1
InChIInChI=1S/C5H5B.C4H4BN/c2*1-2-4-6-5-3-1/h1-5H;1-4H
InChIKeyCZKVHYLOQMGCRK-UHFFFAOYSA-N
XLogP1.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.80
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azaborinine;borinine?
The IUPAC name of azaborinine;borinine (CID 175321486) is azaborinine;borinine.
What is the SMILES notation for azaborinine;borinine?
The canonical SMILES for azaborinine;borinine is b1ccccc1.b1ccccn1.
What is the InChIKey of azaborinine;borinine?
The InChIKey is CZKVHYLOQMGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5B.C4H4BN/c2*1-2-4-6-5-3-1/h1-5H;1-4H.
What are the key properties of azaborinine;borinine?
azaborinine;borinine has a molecular weight of 152.80 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azaborinine;borinine is sourced from PubChem (CID 175321486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).