CID 89018089

C17H14BNO2 — CID 89018089

IUPAC—
SMILES[B]Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C17H14BNO2/c18-11-15-12-19-16(21-15)17(20,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,20H,11H2
InChIKeyLRICRBCJZMWPEP-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.63
Rot. Bonds4

About CID 89018089

CID 89018089 (PubChem CID 89018089) has the molecular formula C17H14BNO2 and a molecular weight of 275.12 g/mol.

Molecular Properties

Compound NameCID 89018089
PubChem CID89018089
Molecular FormulaC17H14BNO2
Molecular Weight275.12 g/mol
Exact Mass275.11
IUPAC Name—
SMILES[B]Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C17H14BNO2/c18-11-15-12-19-16(21-15)17(20,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,20H,11H2
InChIKeyLRICRBCJZMWPEP-UHFFFAOYSA-N
XLogP2.63
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.63
H-Bond Donors ≤ 51
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 89018089?
The IUPAC name of CID 89018089 (CID 89018089) is not available.
What is the SMILES notation for CID 89018089?
The canonical SMILES for CID 89018089 is [B]Cc1cnc(C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of CID 89018089?
The InChIKey is LRICRBCJZMWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BNO2/c18-11-15-12-19-16(21-15)17(20,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,20H,11H2.
What are the key properties of CID 89018089?
CID 89018089 has a molecular weight of 275.12 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89018089 is sourced from PubChem (CID 89018089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).