CID 89010021

C9H10BN — CID 89010021

IUPAC—
SMILES[B]c1ccc2c(n1)CCCC2
InChIInChI=1S/C9H10BN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2
InChIKeyRIUMTJDZPFZGNC-UHFFFAOYSA-N
MW143.00 g/mol
LogP0.75
Rot. Bonds

About CID 89010021

CID 89010021 (PubChem CID 89010021) has the molecular formula C9H10BN and a molecular weight of 143.00 g/mol.

Molecular Properties

Compound NameCID 89010021
PubChem CID89010021
Molecular FormulaC9H10BN
Molecular Weight143.00 g/mol
Exact Mass143.09
IUPAC Name—
SMILES[B]c1ccc2c(n1)CCCC2
InChIInChI=1S/C9H10BN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2
InChIKeyRIUMTJDZPFZGNC-UHFFFAOYSA-N
XLogP0.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.00
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 89010021?
The IUPAC name of CID 89010021 (CID 89010021) is not available.
What is the SMILES notation for CID 89010021?
The canonical SMILES for CID 89010021 is [B]c1ccc2c(n1)CCCC2.
What is the InChIKey of CID 89010021?
The InChIKey is RIUMTJDZPFZGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2.
What are the key properties of CID 89010021?
CID 89010021 has a molecular weight of 143.00 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89010021 is sourced from PubChem (CID 89010021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).