CID 170960189

C7H6BN3 — CID 170960189

IUPAC—
SMILES[B]c1cncc2c1cnn2C
InChIInChI=1S/C7H6BN3/c1-11-7-4-9-3-6(8)5(7)2-10-11/h2-4H,1H3
InChIKeyRCSLQPZLHPFQTP-UHFFFAOYSA-N
MW142.96 g/mol
LogP-0.24
Rot. Bonds

About CID 170960189

CID 170960189 (PubChem CID 170960189) has the molecular formula C7H6BN3 and a molecular weight of 142.96 g/mol.

Molecular Properties

Compound NameCID 170960189
PubChem CID170960189
Molecular FormulaC7H6BN3
Molecular Weight142.96 g/mol
Exact Mass143.07
IUPAC Name—
SMILES[B]c1cncc2c1cnn2C
InChIInChI=1S/C7H6BN3/c1-11-7-4-9-3-6(8)5(7)2-10-11/h2-4H,1H3
InChIKeyRCSLQPZLHPFQTP-UHFFFAOYSA-N
XLogP-0.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.96
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
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 170960189?
The IUPAC name of CID 170960189 (CID 170960189) is not available.
What is the SMILES notation for CID 170960189?
The canonical SMILES for CID 170960189 is [B]c1cncc2c1cnn2C.
What is the InChIKey of CID 170960189?
The InChIKey is RCSLQPZLHPFQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BN3/c1-11-7-4-9-3-6(8)5(7)2-10-11/h2-4H,1H3.
What are the key properties of CID 170960189?
CID 170960189 has a molecular weight of 142.96 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170960189 is sourced from PubChem (CID 170960189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).