CID 171092005

C6H5BN2O2 — CID 171092005

IUPAC—
SMILES[B]NC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C6H5BN2O2/c7-9-6(11)5-3-4(10)1-2-8-5/h1-3H,(H,8,10)(H,9,11)
InChIKeyPPVQVDWBUJECCY-UHFFFAOYSA-N
MW147.93 g/mol
LogP-0.81
Rot. Bonds1

About CID 171092005

CID 171092005 (PubChem CID 171092005) has the molecular formula C6H5BN2O2 and a molecular weight of 147.93 g/mol.

Molecular Properties

Compound NameCID 171092005
PubChem CID171092005
Molecular FormulaC6H5BN2O2
Molecular Weight147.93 g/mol
Exact Mass148.04
IUPAC Name—
SMILES[B]NC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C6H5BN2O2/c7-9-6(11)5-3-4(10)1-2-8-5/h1-3H,(H,8,10)(H,9,11)
InChIKeyPPVQVDWBUJECCY-UHFFFAOYSA-N
XLogP-0.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.93
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 171092005 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

N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110848373
N-(2,4-difluorophenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110863623
methyl 3-oxo-3-(4-oxo-1H-pyridin-2-yl)propanoate
CID 82657167
4-oxo-1H-pyridine-2-carbothioamide
CID 62926463
4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxamide
CID 110860781
N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110859043
N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide
CID 110856202
propan-2-yl 4-oxo-1H-pyridine-2-carboxylate
CID 172999813
N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide
CID 164629335
2-(3-methylpentanoyl)-1H-pyridin-4-one
CID 144527814
ethoxycarbonyl 4-oxo-1H-pyridine-2-carboxylate
CID 174252831
N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 110855738

Frequently Asked Questions

What is the IUPAC name of CID 171092005?
The IUPAC name of CID 171092005 (CID 171092005) is not available.
What is the SMILES notation for CID 171092005?
The canonical SMILES for CID 171092005 is [B]NC(=O)c1cc(=O)cc[nH]1.
What is the InChIKey of CID 171092005?
The InChIKey is PPVQVDWBUJECCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BN2O2/c7-9-6(11)5-3-4(10)1-2-8-5/h1-3H,(H,8,10)(H,9,11).
What are the key properties of CID 171092005?
CID 171092005 has a molecular weight of 147.93 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171092005 is sourced from PubChem (CID 171092005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).