CID 59912313

C12H9BN2O2 — CID 59912313

IUPAC—
SMILES[B]C(=O)Nc1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H9BN2O2/c13-12(17)15-10-7-6-9(14-11(10)16)8-4-2-1-3-5-8/h1-7H,(H,14,16)(H,15,17)
InChIKeyHAGMKAHBSHCORV-UHFFFAOYSA-N
MW224.03 g/mol
LogP1.74
Rot. Bonds2

About CID 59912313

CID 59912313 (PubChem CID 59912313) has the molecular formula C12H9BN2O2 and a molecular weight of 224.03 g/mol.

Molecular Properties

Compound NameCID 59912313
PubChem CID59912313
Molecular FormulaC12H9BN2O2
Molecular Weight224.03 g/mol
Exact Mass224.08
IUPAC Name—
SMILES[B]C(=O)Nc1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H9BN2O2/c13-12(17)15-10-7-6-9(14-11(10)16)8-4-2-1-3-5-8/h1-7H,(H,14,16)(H,15,17)
InChIKeyHAGMKAHBSHCORV-UHFFFAOYSA-N
XLogP1.74
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.03
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 59912313 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Albonoursin
CID 6109346
6-Phenyl-2-pyridone
CID 87889
4-Methyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 2814576
3-hydroxy-6-phenyl-1H-pyridin-2-one
CID 71710919
2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 260511
N-(1-amino-3-methyl-1-oxobut-2-en-2-yl)benzamide
CID 919438
N-[(4-fluorophenyl)methyl]-2-(2-oxopyridin-1-yl)acetamide
CID 9441317
3-(Benzylamino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 454349
2(1H)-Pyridinone, 5-ethyl-3-(((2-fluorophenyl)methyl)amino)-6-methyl-
CID 454353
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-methylphenyl)methyl)amino)-
CID 454356
2(1H)-Pyridinone, 5-ethyl-3-(((2-ethylphenyl)methyl)amino)-6-methyl-
CID 454358
2-(Cinnamoylamino)-3-phenylacrylamide
CID 2294329

Frequently Asked Questions

What is the IUPAC name of CID 59912313?
The IUPAC name of CID 59912313 (CID 59912313) is not available.
What is the SMILES notation for CID 59912313?
The canonical SMILES for CID 59912313 is [B]C(=O)Nc1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of CID 59912313?
The InChIKey is HAGMKAHBSHCORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BN2O2/c13-12(17)15-10-7-6-9(14-11(10)16)8-4-2-1-3-5-8/h1-7H,(H,14,16)(H,15,17).
What are the key properties of CID 59912313?
CID 59912313 has a molecular weight of 224.03 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59912313 is sourced from PubChem (CID 59912313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).