CID 145278706

C9H8BN — CID 145278706

IUPAC—
SMILES[B]c1ccc2[nH]ccc2c1C
InChIInChI=1S/C9H8BN/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,1H3
InChIKeyNFRMNXBUZQWIFU-UHFFFAOYSA-N
MW140.98 g/mol
LogP1.27
Rot. Bonds

About CID 145278706

CID 145278706 (PubChem CID 145278706) has the molecular formula C9H8BN and a molecular weight of 140.98 g/mol.

Molecular Properties

Compound NameCID 145278706
PubChem CID145278706
Molecular FormulaC9H8BN
Molecular Weight140.98 g/mol
Exact Mass141.07
IUPAC Name—
SMILES[B]c1ccc2[nH]ccc2c1C
InChIInChI=1S/C9H8BN/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,1H3
InChIKeyNFRMNXBUZQWIFU-UHFFFAOYSA-N
XLogP1.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.98
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 145278706?
The IUPAC name of CID 145278706 (CID 145278706) is not available.
What is the SMILES notation for CID 145278706?
The canonical SMILES for CID 145278706 is [B]c1ccc2[nH]ccc2c1C.
What is the InChIKey of CID 145278706?
The InChIKey is NFRMNXBUZQWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BN/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,1H3.
What are the key properties of CID 145278706?
CID 145278706 has a molecular weight of 140.98 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145278706 is sourced from PubChem (CID 145278706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).