(6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid

C9H9AsN2O5 — CID 151128921

IUPAC(6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid
SMILESCC(=O)Nc1ccc(C#N)c(O)c1[As](=O)(O)O
InChIInChI=1S/C9H9AsN2O5/c1-5(13)12-7-3-2-6(4-11)9(14)8(7)10(15,16)17/h2-3,14H,1H3,(H,12,13)(H2,15,16,17)
InChIKeyMTUDRZRLPBSINN-UHFFFAOYSA-N
MW300.10 g/mol
LogP-1.22
Rot. Bonds2

About (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid

(6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid (PubChem CID 151128921) has the molecular formula C9H9AsN2O5 and a molecular weight of 300.10 g/mol. Its IUPAC name is (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid.

Molecular Properties

Compound Name(6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid
PubChem CID151128921
Molecular FormulaC9H9AsN2O5
Molecular Weight300.10 g/mol
Exact Mass299.97
IUPAC Name(6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid
SMILESCC(=O)Nc1ccc(C#N)c(O)c1[As](=O)(O)O
InChIInChI=1S/C9H9AsN2O5/c1-5(13)12-7-3-2-6(4-11)9(14)8(7)10(15,16)17/h2-3,14H,1H3,(H,12,13)(H2,15,16,17)
InChIKeyMTUDRZRLPBSINN-UHFFFAOYSA-N
XLogP-1.22
TPSA130.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid 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

(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid
CID 150637413
(3-acetamido-2-hydroxyphenyl)arsonic acid
CID 154325288
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
N-(3,4-dicyanophenyl)acetamide
CID 12938829
CID 174311569
CID 174311569
(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron
CID 174446645
N-(2,6-dicyanophenyl)acetamide
CID 151583122
N-(4-cyano-2,5-dimethylphenyl)acetamide
CID 10910295
3-acetyl-2-hydroxy-4-methylbenzonitrile
CID 171020901
N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide
CID 10061609
4-acetyl-3-amino-2-hydroxybenzonitrile
CID 171012109
3,4-diacetamidobenzoate
CID 6922666

Frequently Asked Questions

What is the IUPAC name of (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid?
The IUPAC name of (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid (CID 151128921) is (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid.
What is the SMILES notation for (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid?
The canonical SMILES for (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid is CC(=O)Nc1ccc(C#N)c(O)c1[As](=O)(O)O.
What is the InChIKey of (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid?
The InChIKey is MTUDRZRLPBSINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9AsN2O5/c1-5(13)12-7-3-2-6(4-11)9(14)8(7)10(15,16)17/h2-3,14H,1H3,(H,12,13)(H2,15,16,17).
What are the key properties of (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid?
(6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid has a molecular weight of 300.10 g/mol, XLogP of -1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetamido-3-cyano-2-hydroxyphenyl)arsonic acid is sourced from PubChem (CID 151128921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).