CID 91983969

C6H8BLiNO2 — CID 91983969

IUPAC—
SMILESCc1cccnc1B(O)O.[Li]
InChIInChI=1S/C6H8BNO2.Li/c1-5-3-2-4-8-6(5)7(9)10;/h2-4,9-10H,1H3;
InChIKeyDSACULURACWXJF-UHFFFAOYSA-N
MW143.89 g/mol
LogP-1.31
Rot. Bonds1

About CID 91983969

CID 91983969 (PubChem CID 91983969) has the molecular formula C6H8BLiNO2 and a molecular weight of 143.89 g/mol.

Molecular Properties

Compound NameCID 91983969
PubChem CID91983969
Molecular FormulaC6H8BLiNO2
Molecular Weight143.89 g/mol
Exact Mass144.08
IUPAC Name—
SMILESCc1cccnc1B(O)O.[Li]
InChIInChI=1S/C6H8BNO2.Li/c1-5-3-2-4-8-6(5)7(9)10;/h2-4,9-10H,1H3;
InChIKeyDSACULURACWXJF-UHFFFAOYSA-N
XLogP-1.31
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.89
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91983969?
The IUPAC name of CID 91983969 (CID 91983969) is not available.
What is the SMILES notation for CID 91983969?
The canonical SMILES for CID 91983969 is Cc1cccnc1B(O)O.[Li].
What is the InChIKey of CID 91983969?
The InChIKey is DSACULURACWXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO2.Li/c1-5-3-2-4-8-6(5)7(9)10;/h2-4,9-10H,1H3;.
What are the key properties of CID 91983969?
CID 91983969 has a molecular weight of 143.89 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91983969 is sourced from PubChem (CID 91983969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).