4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine

C11H8ClN3O3 — CID 62102169

IUPAC4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine
SMILESCc1cccc(Oc2ncnc(Cl)c2[N+](=O)[O-])c1
InChIInChI=1S/C11H8ClN3O3/c1-7-3-2-4-8(5-7)18-11-9(15(16)17)10(12)13-6-14-11/h2-6H,1H3
InChIKeyFJZFFPOGYMDUMA-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.14
Rot. Bonds3

About 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine

4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine (PubChem CID 62102169) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine
PubChem CID62102169
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine
SMILESCc1cccc(Oc2ncnc(Cl)c2[N+](=O)[O-])c1
InChIInChI=1S/C11H8ClN3O3/c1-7-3-2-4-8(5-7)18-11-9(15(16)17)10(12)13-6-14-11/h2-6H,1H3
InChIKeyFJZFFPOGYMDUMA-UHFFFAOYSA-N
XLogP3.14
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine 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

4-chloro-6-(3,5-dimethylphenoxy)-5-nitropyrimidine
CID 23477233
4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
CID 62101505
6-(3-methylphenoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 80866607
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
4-(3,5-dimethylphenoxy)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23479109
6-(3,5-dimethylphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
CID 23479218
6-chloro-N-methyl-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
CID 62101698
4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine
CID 55169851
4-(4-methylphenoxy)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482286
4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-5-nitropyrimidine
CID 62102170
4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylphenoxy)-5-nitropyrimidine
CID 23479139

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine?
The IUPAC name of 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine (CID 62102169) is 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine?
The canonical SMILES for 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine is Cc1cccc(Oc2ncnc(Cl)c2[N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine?
The InChIKey is FJZFFPOGYMDUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c1-7-3-2-4-8(5-7)18-11-9(15(16)17)10(12)13-6-14-11/h2-6H,1H3.
What are the key properties of 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine?
4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine has a molecular weight of 265.66 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine is sourced from PubChem (CID 62102169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).