3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione

C10H8IN4O5P — CID 155482535

IUPAC3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione
SMILES[H]/N=C(/c1cc([N+](=O)[O-])ccc1NPI)N1C(=O)COC1=O
InChIInChI=1S/C10H8IN4O5P/c11-21-13-7-2-1-5(15(18)19)3-6(7)9(12)14-8(16)4-20-10(14)17/h1-3,12-13,21H,4H2/b12-9-
InChIKeyBOTYMOKQXAHGKC-XFXZXTDPSA-N
MW422.08 g/mol
LogP2.25
Rot. Bonds4

About 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione

3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione (PubChem CID 155482535) has the molecular formula C10H8IN4O5P and a molecular weight of 422.08 g/mol. Its IUPAC name is 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione
PubChem CID155482535
Molecular FormulaC10H8IN4O5P
Molecular Weight422.08 g/mol
Exact Mass421.93
IUPAC Name3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione
SMILES[H]/N=C(/c1cc([N+](=O)[O-])ccc1NPI)N1C(=O)COC1=O
InChIInChI=1S/C10H8IN4O5P/c11-21-13-7-2-1-5(15(18)19)3-6(7)9(12)14-8(16)4-20-10(14)17/h1-3,12-13,21H,4H2/b12-9-
InChIKeyBOTYMOKQXAHGKC-XFXZXTDPSA-N
XLogP2.25
TPSA125.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.08
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

cyclopropylbenzene;N-iodophosphanyl-2-methanimidoyl-4-nitroaniline
CID 155574889
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
(1Z)-2-amino-N-(2-carbamothioyl-4-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172980313
bis(4-nitrophthalic acid);zirconium
CID 5176883
5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
CID 79156697
1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol
CID 155482630
methyl 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 43479529
(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236217
4-methyl-8-nitro-5H-1,4-benzoxazepin-3-one
CID 175121181
2-iodo-5-nitrobenzoic acid
CID 3848745
2-(2,2-dimethylhydrazinyl)-5-nitrobenzoic acid
CID 83016908
tert-butyl N-[4-nitro-2-(3-trimethylsilylprop-2-ynimidoyl)phenyl]carbamate
CID 23571040

Frequently Asked Questions

What is the IUPAC name of 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione (CID 155482535) is 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione is [H]/N=C(/c1cc([N+](=O)[O-])ccc1NPI)N1C(=O)COC1=O.
What is the InChIKey of 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is BOTYMOKQXAHGKC-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H8IN4O5P/c11-21-13-7-2-1-5(15(18)19)3-6(7)9(12)14-8(16)4-20-10(14)17/h1-3,12-13,21H,4H2/b12-9-.
What are the key properties of 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione?
3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 422.08 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(iodophosphanylamino)-5-nitrobenzenecarboximidoyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 155482535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).