CID 89171163

C10H10B2N2 — CID 89171163

IUPAC—
SMILES[B]C1C=CN=C(C2=NC=CC([B])C2)C1
InChIInChI=1S/C10H10B2N2/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-4,7-8H,5-6H2
InChIKeyTWGVYPVNBMQPGS-UHFFFAOYSA-N
MW179.83 g/mol
LogP1.62
Rot. Bonds1

About CID 89171163

CID 89171163 (PubChem CID 89171163) has the molecular formula C10H10B2N2 and a molecular weight of 179.83 g/mol.

Molecular Properties

Compound NameCID 89171163
PubChem CID89171163
Molecular FormulaC10H10B2N2
Molecular Weight179.83 g/mol
Exact Mass180.10
IUPAC Name—
SMILES[B]C1C=CN=C(C2=NC=CC([B])C2)C1
InChIInChI=1S/C10H10B2N2/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-4,7-8H,5-6H2
InChIKeyTWGVYPVNBMQPGS-UHFFFAOYSA-N
XLogP1.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.83
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 89171163?
The IUPAC name of CID 89171163 (CID 89171163) is not available.
What is the SMILES notation for CID 89171163?
The canonical SMILES for CID 89171163 is [B]C1C=CN=C(C2=NC=CC([B])C2)C1.
What is the InChIKey of CID 89171163?
The InChIKey is TWGVYPVNBMQPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10B2N2/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-4,7-8H,5-6H2.
What are the key properties of CID 89171163?
CID 89171163 has a molecular weight of 179.83 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89171163 is sourced from PubChem (CID 89171163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).