CID 87392386

C7H6AsNO2 — CID 87392386

IUPAC—
SMILESCOC(=O)c1cccnc1[As]
InChIInChI=1S/C7H6AsNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
InChIKeyXRPBHKKBRMAVHQ-UHFFFAOYSA-N
MW211.05 g/mol
LogP-0.34
Rot. Bonds1

About CID 87392386

CID 87392386 (PubChem CID 87392386) has the molecular formula C7H6AsNO2 and a molecular weight of 211.05 g/mol.

Molecular Properties

Compound NameCID 87392386
PubChem CID87392386
Molecular FormulaC7H6AsNO2
Molecular Weight211.05 g/mol
Exact Mass210.96
IUPAC Name—
SMILESCOC(=O)c1cccnc1[As]
InChIInChI=1S/C7H6AsNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
InChIKeyXRPBHKKBRMAVHQ-UHFFFAOYSA-N
XLogP-0.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 87392386 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

methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate
CID 60722786
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2-[(3-methoxycarbonyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 81230057
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666

Frequently Asked Questions

What is the IUPAC name of CID 87392386?
The IUPAC name of CID 87392386 (CID 87392386) is not available.
What is the SMILES notation for CID 87392386?
The canonical SMILES for CID 87392386 is COC(=O)c1cccnc1[As].
What is the InChIKey of CID 87392386?
The InChIKey is XRPBHKKBRMAVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6AsNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3.
What are the key properties of CID 87392386?
CID 87392386 has a molecular weight of 211.05 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87392386 is sourced from PubChem (CID 87392386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).