CID 89162375

C10H6BN3O — CID 89162375

IUPAC—
SMILES[B]c1cnc2[nH]cc(-c3cnco3)c2c1
InChIInChI=1S/C10H6BN3O/c11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h1-5H,(H,13,14)
InChIKeyJDWAODGEGBKPEI-UHFFFAOYSA-N
MW194.99 g/mol
LogP1.01
Rot. Bonds1

About CID 89162375

CID 89162375 (PubChem CID 89162375) has the molecular formula C10H6BN3O and a molecular weight of 194.99 g/mol.

Molecular Properties

Compound NameCID 89162375
PubChem CID89162375
Molecular FormulaC10H6BN3O
Molecular Weight194.99 g/mol
Exact Mass195.06
IUPAC Name—
SMILES[B]c1cnc2[nH]cc(-c3cnco3)c2c1
InChIInChI=1S/C10H6BN3O/c11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h1-5H,(H,13,14)
InChIKeyJDWAODGEGBKPEI-UHFFFAOYSA-N
XLogP1.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.99
LogP ≤ 51.01
H-Bond Donors ≤ 51
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 89162375?
The IUPAC name of CID 89162375 (CID 89162375) is not available.
What is the SMILES notation for CID 89162375?
The canonical SMILES for CID 89162375 is [B]c1cnc2[nH]cc(-c3cnco3)c2c1.
What is the InChIKey of CID 89162375?
The InChIKey is JDWAODGEGBKPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BN3O/c11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h1-5H,(H,13,14).
What are the key properties of CID 89162375?
CID 89162375 has a molecular weight of 194.99 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89162375 is sourced from PubChem (CID 89162375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).