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

C11H10ClN5O3 — CID 80917047

IUPAC[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine
SMILESCc1cc(Cl)ccc1Oc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H10ClN5O3/c1-6-4-7(12)2-3-8(6)20-11-9(17(18)19)10(16-13)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyYEZLOYJJPVODIH-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.42
Rot. Bonds4

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

[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 80917047) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID80917047
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Name[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine
SMILESCc1cc(Cl)ccc1Oc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H10ClN5O3/c1-6-4-7(12)2-3-8(6)20-11-9(17(18)19)10(16-13)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyYEZLOYJJPVODIH-UHFFFAOYSA-N
XLogP2.42
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [6-(4-chloro-2-methylphenoxy)-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-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725350
[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80921308
6-(2-bromo-4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38739779
6-(2,5-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725368
[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80920818
[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916758
N-(4-chloro-2-methylphenyl)-5-nitro-6-propan-2-yloxypyrimidin-4-amine
CID 23485135
6-(4-chloro-3,5-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)-5-nitropyrimidin-4-amine
CID 23485989
N-(5-chloro-2-methylphenyl)-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 23479126
[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80921197
6-(4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 2822070
N-(2,4-dichlorophenyl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 22534200

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine (CID 80917047) is [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine is Cc1cc(Cl)ccc1Oc1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is YEZLOYJJPVODIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c1-6-4-7(12)2-3-8(6)20-11-9(17(18)19)10(16-13)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine?
[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 295.69 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80917047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).