CID 144763920

C14H9BN2O — CID 144763920

IUPAC—
SMILES[B]c1ccc2ncn(-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C14H9BN2O/c15-10-6-7-13-12(8-10)14(18)17(9-16-13)11-4-2-1-3-5-11/h1-9H
InChIKeyFCPHQMWVOPSQOG-UHFFFAOYSA-N
MW232.05 g/mol
LogP1.18
Rot. Bonds1

About CID 144763920

CID 144763920 (PubChem CID 144763920) has the molecular formula C14H9BN2O and a molecular weight of 232.05 g/mol.

Molecular Properties

Compound NameCID 144763920
PubChem CID144763920
Molecular FormulaC14H9BN2O
Molecular Weight232.05 g/mol
Exact Mass232.08
IUPAC Name—
SMILES[B]c1ccc2ncn(-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C14H9BN2O/c15-10-6-7-13-12(8-10)14(18)17(9-16-13)11-4-2-1-3-5-11/h1-9H
InChIKeyFCPHQMWVOPSQOG-UHFFFAOYSA-N
XLogP1.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 51.18
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 144763920?
The IUPAC name of CID 144763920 (CID 144763920) is not available.
What is the SMILES notation for CID 144763920?
The canonical SMILES for CID 144763920 is [B]c1ccc2ncn(-c3ccccc3)c(=O)c2c1.
What is the InChIKey of CID 144763920?
The InChIKey is FCPHQMWVOPSQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BN2O/c15-10-6-7-13-12(8-10)14(18)17(9-16-13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of CID 144763920?
CID 144763920 has a molecular weight of 232.05 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144763920 is sourced from PubChem (CID 144763920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).