CID 149192166

C13H9BN2 — CID 149192166

IUPAC—
SMILES[B]c1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C13H9BN2/c14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h1-9H
InChIKeyWAAFKYRUMJVXRK-UHFFFAOYSA-N
MW204.04 g/mol
LogP1.82
Rot. Bonds1

About CID 149192166

CID 149192166 (PubChem CID 149192166) has the molecular formula C13H9BN2 and a molecular weight of 204.04 g/mol.

Molecular Properties

Compound NameCID 149192166
PubChem CID149192166
Molecular FormulaC13H9BN2
Molecular Weight204.04 g/mol
Exact Mass204.09
IUPAC Name—
SMILES[B]c1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C13H9BN2/c14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h1-9H
InChIKeyWAAFKYRUMJVXRK-UHFFFAOYSA-N
XLogP1.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 51.82
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 149192166?
The IUPAC name of CID 149192166 (CID 149192166) is not available.
What is the SMILES notation for CID 149192166?
The canonical SMILES for CID 149192166 is [B]c1cccc(-n2cnc3ccccc32)c1.
What is the InChIKey of CID 149192166?
The InChIKey is WAAFKYRUMJVXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BN2/c14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h1-9H.
What are the key properties of CID 149192166?
CID 149192166 has a molecular weight of 204.04 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149192166 is sourced from PubChem (CID 149192166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).