4-arsoroso-N-pyridin-2-ylbenzamide

C12H9AsN2O2 — CID 3027019

IUPAC4-arsoroso-N-pyridin-2-ylbenzamide
SMILESO=[As]c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C12H9AsN2O2/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(13-17)7-5-9/h1-8H,(H,14,15,16)
InChIKeySNUQKOFAOBKJEJ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.01
Rot. Bonds3

About 4-arsoroso-N-pyridin-2-ylbenzamide

4-arsoroso-N-pyridin-2-ylbenzamide (PubChem CID 3027019) has the molecular formula C12H9AsN2O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-arsoroso-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-arsoroso-N-pyridin-2-ylbenzamide
PubChem CID3027019
Molecular FormulaC12H9AsN2O2
Molecular Weight288.14 g/mol
Exact Mass287.99
IUPAC Name4-arsoroso-N-pyridin-2-ylbenzamide
SMILESO=[As]c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C12H9AsN2O2/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(13-17)7-5-9/h1-8H,(H,14,15,16)
InChIKeySNUQKOFAOBKJEJ-UHFFFAOYSA-N
XLogP1.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.01
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

1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
4-ethynyl-N-pyridin-2-ylbenzamide
CID 135042338
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
CID 17392220
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
4-(methanesulfonamido)-N-pyridin-2-ylbenzamide
CID 42113789
N-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 91447099
4-[(2E)-penta-2,4-dien-2-yl]-N-pyridin-2-ylbenzamide
CID 146637347
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 6980203

Frequently Asked Questions

What is the IUPAC name of 4-arsoroso-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-arsoroso-N-pyridin-2-ylbenzamide (CID 3027019) is 4-arsoroso-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-arsoroso-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-arsoroso-N-pyridin-2-ylbenzamide is O=[As]c1ccc(C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-arsoroso-N-pyridin-2-ylbenzamide?
The InChIKey is SNUQKOFAOBKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9AsN2O2/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(13-17)7-5-9/h1-8H,(H,14,15,16).
What are the key properties of 4-arsoroso-N-pyridin-2-ylbenzamide?
4-arsoroso-N-pyridin-2-ylbenzamide has a molecular weight of 288.14 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-arsoroso-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 3027019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).