CID 178148091

C8H9BN2O2 — CID 178148091

IUPAC—
SMILES[B]c1nc(C(=O)NC)ccc1OC
InChIInChI=1S/C8H9BN2O2/c1-10-8(12)5-3-4-6(13-2)7(9)11-5/h3-4H,1-2H3,(H,10,12)
InChIKeyQSYHRJQAMIKOPL-UHFFFAOYSA-N
MW175.98 g/mol
LogP-0.76
Rot. Bonds2

About CID 178148091

CID 178148091 (PubChem CID 178148091) has the molecular formula C8H9BN2O2 and a molecular weight of 175.98 g/mol.

Molecular Properties

Compound NameCID 178148091
PubChem CID178148091
Molecular FormulaC8H9BN2O2
Molecular Weight175.98 g/mol
Exact Mass176.08
IUPAC Name—
SMILES[B]c1nc(C(=O)NC)ccc1OC
InChIInChI=1S/C8H9BN2O2/c1-10-8(12)5-3-4-6(13-2)7(9)11-5/h3-4H,1-2H3,(H,10,12)
InChIKeyQSYHRJQAMIKOPL-UHFFFAOYSA-N
XLogP-0.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.98
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-methyl-6-nitropyridine-2-carboxamide
CID 171531875
5-amino-6-methoxy-N-methylpyridine-2-carboxamide
CID 86726461
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate
CID 176920492
5-ethyl-N,6-dimethylpyridine-2-carboxamide
CID 166088986
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
6-chloro-N,5-dimethylpyridine-2-carboxamide;ethane
CID 170981052
6-cyano-N,5-dimethylpyridine-2-carboxamide
CID 170981219
5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide
CID 82503638
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
2-fluoro-3-methoxy-N,6-dimethylbenzamide
CID 143990070
6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide
CID 171776724

Frequently Asked Questions

What is the IUPAC name of CID 178148091?
The IUPAC name of CID 178148091 (CID 178148091) is not available.
What is the SMILES notation for CID 178148091?
The canonical SMILES for CID 178148091 is [B]c1nc(C(=O)NC)ccc1OC.
What is the InChIKey of CID 178148091?
The InChIKey is QSYHRJQAMIKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BN2O2/c1-10-8(12)5-3-4-6(13-2)7(9)11-5/h3-4H,1-2H3,(H,10,12).
What are the key properties of CID 178148091?
CID 178148091 has a molecular weight of 175.98 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178148091 is sourced from PubChem (CID 178148091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).