CID 87923408

C9H11AsN2O3 — CID 87923408

IUPAC—
SMILESCc1cc([As])c([N+](=O)[O-])cc1NCCO
InChIInChI=1S/C9H11AsN2O3/c1-6-4-7(10)9(12(14)15)5-8(6)11-2-3-13/h4-5,11,13H,2-3H2,1H3
InChIKeyQYFWYRNTEJUAOY-UHFFFAOYSA-N
MW270.12 g/mol
LogP0.10
Rot. Bonds4

About CID 87923408

CID 87923408 (PubChem CID 87923408) has the molecular formula C9H11AsN2O3 and a molecular weight of 270.12 g/mol.

Molecular Properties

Compound NameCID 87923408
PubChem CID87923408
Molecular FormulaC9H11AsN2O3
Molecular Weight270.12 g/mol
Exact Mass270.00
IUPAC Name—
SMILESCc1cc([As])c([N+](=O)[O-])cc1NCCO
InChIInChI=1S/C9H11AsN2O3/c1-6-4-7(10)9(12(14)15)5-8(6)11-2-3-13/h4-5,11,13H,2-3H2,1H3
InChIKeyQYFWYRNTEJUAOY-UHFFFAOYSA-N
XLogP0.10
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-[4-(2-hydroxyethylamino)-3-nitrophenyl]ethanone
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N-(2,2-dimethylpropyl)-2,4-dimethyl-5-nitroaniline
CID 104757477
bis[4-(2-hydroxyethylamino)-3-nitrophenyl]methanone
CID 151369958
N'-(5-chloro-2-methyl-4-nitrophenyl)-N-methylethane-1,2-diamine
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2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
3-(4-amino-2-methyl-5-nitroanilino)propane-1,2-diol
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2-(2,4-dinitro-5-piperidin-1-ylanilino)ethanol
CID 2842390

Frequently Asked Questions

What is the IUPAC name of CID 87923408?
The IUPAC name of CID 87923408 (CID 87923408) is not available.
What is the SMILES notation for CID 87923408?
The canonical SMILES for CID 87923408 is Cc1cc([As])c([N+](=O)[O-])cc1NCCO.
What is the InChIKey of CID 87923408?
The InChIKey is QYFWYRNTEJUAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11AsN2O3/c1-6-4-7(10)9(12(14)15)5-8(6)11-2-3-13/h4-5,11,13H,2-3H2,1H3.
What are the key properties of CID 87923408?
CID 87923408 has a molecular weight of 270.12 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87923408 is sourced from PubChem (CID 87923408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).