CID 167521348

C7H6BN3 — CID 167521348

IUPAC—
SMILES[B]c1ccnn2ncc(C)c12
InChIInChI=1S/C7H6BN3/c1-5-4-10-11-7(5)6(8)2-3-9-11/h2-4H,1H3
InChIKeyZFIKLKLENFQXRC-UHFFFAOYSA-N
MW142.96 g/mol
LogP-0.17
Rot. Bonds

About CID 167521348

CID 167521348 (PubChem CID 167521348) has the molecular formula C7H6BN3 and a molecular weight of 142.96 g/mol.

Molecular Properties

Compound NameCID 167521348
PubChem CID167521348
Molecular FormulaC7H6BN3
Molecular Weight142.96 g/mol
Exact Mass143.07
IUPAC Name—
SMILES[B]c1ccnn2ncc(C)c12
InChIInChI=1S/C7H6BN3/c1-5-4-10-11-7(5)6(8)2-3-9-11/h2-4H,1H3
InChIKeyZFIKLKLENFQXRC-UHFFFAOYSA-N
XLogP-0.17
TPSA30.19 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 ≤ 5-0.17
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 167521348?
The IUPAC name of CID 167521348 (CID 167521348) is not available.
What is the SMILES notation for CID 167521348?
The canonical SMILES for CID 167521348 is [B]c1ccnn2ncc(C)c12.
What is the InChIKey of CID 167521348?
The InChIKey is ZFIKLKLENFQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BN3/c1-5-4-10-11-7(5)6(8)2-3-9-11/h2-4H,1H3.
What are the key properties of CID 167521348?
CID 167521348 has a molecular weight of 142.96 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167521348 is sourced from PubChem (CID 167521348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).