CID 89087438

C11H10BNO — CID 89087438

IUPAC—
SMILES[B]c1ccc(OC)c2nc(C)ccc12
InChIInChI=1S/C11H10BNO/c1-7-3-4-8-9(12)5-6-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKeyRRMCHIJGQXGBEG-UHFFFAOYSA-N
MW183.02 g/mol
LogP1.35
Rot. Bonds1

About CID 89087438

CID 89087438 (PubChem CID 89087438) has the molecular formula C11H10BNO and a molecular weight of 183.02 g/mol.

Molecular Properties

Compound NameCID 89087438
PubChem CID89087438
Molecular FormulaC11H10BNO
Molecular Weight183.02 g/mol
Exact Mass183.09
IUPAC Name—
SMILES[B]c1ccc(OC)c2nc(C)ccc12
InChIInChI=1S/C11H10BNO/c1-7-3-4-8-9(12)5-6-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKeyRRMCHIJGQXGBEG-UHFFFAOYSA-N
XLogP1.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.02
LogP ≤ 51.35
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 89087438?
The IUPAC name of CID 89087438 (CID 89087438) is not available.
What is the SMILES notation for CID 89087438?
The canonical SMILES for CID 89087438 is [B]c1ccc(OC)c2nc(C)ccc12.
What is the InChIKey of CID 89087438?
The InChIKey is RRMCHIJGQXGBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO/c1-7-3-4-8-9(12)5-6-10(14-2)11(8)13-7/h3-6H,1-2H3.
What are the key properties of CID 89087438?
CID 89087438 has a molecular weight of 183.02 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89087438 is sourced from PubChem (CID 89087438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).