CID 148618556

C7H7BN2O — CID 148618556

IUPAC—
SMILES[B]C1Oc2cccnc2C1N
InChIInChI=1S/C7H7BN2O/c8-7-5(9)6-4(11-7)2-1-3-10-6/h1-3,5,7H,9H2
InChIKeyOMJYXLFMXIQQPM-UHFFFAOYSA-N
MW145.96 g/mol
LogP-0.03
Rot. Bonds

About CID 148618556

CID 148618556 (PubChem CID 148618556) has the molecular formula C7H7BN2O and a molecular weight of 145.96 g/mol.

Molecular Properties

Compound NameCID 148618556
PubChem CID148618556
Molecular FormulaC7H7BN2O
Molecular Weight145.96 g/mol
Exact Mass146.07
IUPAC Name—
SMILES[B]C1Oc2cccnc2C1N
InChIInChI=1S/C7H7BN2O/c8-7-5(9)6-4(11-7)2-1-3-10-6/h1-3,5,7H,9H2
InChIKeyOMJYXLFMXIQQPM-UHFFFAOYSA-N
XLogP-0.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.96
LogP ≤ 5-0.03
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 148618556?
The IUPAC name of CID 148618556 (CID 148618556) is not available.
What is the SMILES notation for CID 148618556?
The canonical SMILES for CID 148618556 is [B]C1Oc2cccnc2C1N.
What is the InChIKey of CID 148618556?
The InChIKey is OMJYXLFMXIQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O/c8-7-5(9)6-4(11-7)2-1-3-10-6/h1-3,5,7H,9H2.
What are the key properties of CID 148618556?
CID 148618556 has a molecular weight of 145.96 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148618556 is sourced from PubChem (CID 148618556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).