1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol

C10H11IN2O4 — CID 106670917

IUPAC1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol
SMILESO=[N+]([O-])c1ccc(N2CC(O)C(O)C2)cc1I
InChIInChI=1S/C10H11IN2O4/c11-7-3-6(1-2-8(7)13(16)17)12-4-9(14)10(15)5-12/h1-3,9-10,14-15H,4-5H2
InChIKeyMTFFXAVCIADKNP-UHFFFAOYSA-N
MW350.11 g/mol
LogP0.74
Rot. Bonds2

About 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol

1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol (PubChem CID 106670917) has the molecular formula C10H11IN2O4 and a molecular weight of 350.11 g/mol. Its IUPAC name is 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol
PubChem CID106670917
Molecular FormulaC10H11IN2O4
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC Name1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol
SMILESO=[N+]([O-])c1ccc(N2CC(O)C(O)C2)cc1I
InChIInChI=1S/C10H11IN2O4/c11-7-3-6(1-2-8(7)13(16)17)12-4-9(14)10(15)5-12/h1-3,9-10,14-15H,4-5H2
InChIKeyMTFFXAVCIADKNP-UHFFFAOYSA-N
XLogP0.74
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(3R)-1-(3-iodo-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 166150000
4-(3-iodo-4-nitrophenyl)piperazine-2,6-dione
CID 106494572
1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol
CID 103761636
1-(3-iodo-4-nitrophenyl)-4-propan-2-ylpiperazine
CID 47279827
1-(3-iodo-4-nitrophenyl)-3,3-dimethylpyrrolidine
CID 103704702
8-(3-iodo-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 106494482
7-(3-iodo-4-nitrophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103739234
1-(3-iodo-4-nitrophenyl)-3-methylpiperidin-3-ol
CID 113343726
4-ethyl-1-(3-iodo-4-nitrophenyl)azepane
CID 106494505
1-(3-iodo-4-nitrophenyl)-3-pyrrolidin-2-ylpiperidine
CID 106493393
1-(3-iodo-4-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150517
1-(3-amino-4-nitrophenyl)azetidin-3-amine
CID 106749879

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol (CID 106670917) is 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol is O=[N+]([O-])c1ccc(N2CC(O)C(O)C2)cc1I.
What is the InChIKey of 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol?
The InChIKey is MTFFXAVCIADKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O4/c11-7-3-6(1-2-8(7)13(16)17)12-4-9(14)10(15)5-12/h1-3,9-10,14-15H,4-5H2.
What are the key properties of 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol?
1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol has a molecular weight of 350.11 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-4-nitrophenyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106670917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).