[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine

C10H8IN5O3 — CID 80920818

IUPAC[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(Oc2ccccc2I)c1[N+](=O)[O-]
InChIInChI=1S/C10H8IN5O3/c11-6-3-1-2-4-7(6)19-10-8(16(17)18)9(15-12)13-5-14-10/h1-5H,12H2,(H,13,14,15)
InChIKeyTZHCOSDTZSSEOB-UHFFFAOYSA-N
MW373.11 g/mol
LogP2.07
Rot. Bonds4

About [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine

[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 80920818) has the molecular formula C10H8IN5O3 and a molecular weight of 373.11 g/mol. Its IUPAC name is [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID80920818
Molecular FormulaC10H8IN5O3
Molecular Weight373.11 g/mol
Exact Mass372.97
IUPAC Name[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(Oc2ccccc2I)c1[N+](=O)[O-]
InChIInChI=1S/C10H8IN5O3/c11-6-3-1-2-4-7(6)19-10-8(16(17)18)9(15-12)13-5-14-10/h1-5H,12H2,(H,13,14,15)
InChIKeyTZHCOSDTZSSEOB-UHFFFAOYSA-N
XLogP2.07
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}

Analyze [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine 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-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80921308
[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80917047
[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 80920876
2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
CID 80912433
6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22531140
N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22534878
N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 22534718
N-(2,4-dimethylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22525693
[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine
CID 80906474
[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80925033
N-(3,5-dimethylphenyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479337
[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine
CID 82957059

Frequently Asked Questions

What is the IUPAC name of [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine (CID 80920818) is [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine is NNc1ncnc(Oc2ccccc2I)c1[N+](=O)[O-].
What is the InChIKey of [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is TZHCOSDTZSSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN5O3/c11-6-3-1-2-4-7(6)19-10-8(16(17)18)9(15-12)13-5-14-10/h1-5H,12H2,(H,13,14,15).
What are the key properties of [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine?
[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 373.11 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80920818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).