N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine

C12H12IN3O2 — CID 79106046

IUPACN-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1Nc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12IN3O2/c1-8-3-4-9(2)15(8)14-11-6-5-10(13)7-12(11)16(17)18/h3-7,14H,1-2H3
InChIKeyOGGVQZPIPXONQW-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.49
Rot. Bonds3

About N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine

N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine (PubChem CID 79106046) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine
PubChem CID79106046
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC NameN-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1Nc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12IN3O2/c1-8-3-4-9(2)15(8)14-11-6-5-10(13)7-12(11)16(17)18/h3-7,14H,1-2H3
InChIKeyOGGVQZPIPXONQW-UHFFFAOYSA-N
XLogP3.49
TPSA60.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine 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

N-tert-butyl-4-iodo-2-nitroaniline
CID 162381506
N-(5-fluoro-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine
CID 79107216
2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol
CID 66064486
N-(4-bromo-2-nitrophenyl)-5-iodo-2-methylaniline
CID 114257963
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424
N-(2,5-dimethylpyrrol-1-yl)-5-nitroquinolin-8-amine
CID 79108207
N-(2,5-dimethylpyrrol-1-yl)-8-nitroisoquinolin-5-amine
CID 79108342
N-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66082684
2-(4-iodo-2-nitroanilino)propanoic acid
CID 66064852
4-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitroaniline
CID 66066460
4-iodo-2-nitro-N-(1-phenylpropyl)aniline
CID 66066089
3-(4-iodo-2-nitroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114630141

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine (CID 79106046) is N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1Nc1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine?
The InChIKey is OGGVQZPIPXONQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-8-3-4-9(2)15(8)14-11-6-5-10(13)7-12(11)16(17)18/h3-7,14H,1-2H3.
What are the key properties of N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine?
N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine has a molecular weight of 357.15 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79106046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).