4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine

C11H7Cl2N3O3 — CID 62101505

IUPAC4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
SMILESCc1ccc(Cl)c(Oc2ncnc(Cl)c2[N+](=O)[O-])c1
InChIInChI=1S/C11H7Cl2N3O3/c1-6-2-3-7(12)8(4-6)19-11-9(16(17)18)10(13)14-5-15-11/h2-5H,1H3
InChIKeyQNLPYZCPAUHBSS-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.79
Rot. Bonds3

About 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine

4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine (PubChem CID 62101505) has the molecular formula C11H7Cl2N3O3 and a molecular weight of 300.10 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
PubChem CID62101505
Molecular FormulaC11H7Cl2N3O3
Molecular Weight300.10 g/mol
Exact Mass298.99
IUPAC Name4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
SMILESCc1ccc(Cl)c(Oc2ncnc(Cl)c2[N+](=O)[O-])c1
InChIInChI=1S/C11H7Cl2N3O3/c1-6-2-3-7(12)8(4-6)19-11-9(16(17)18)10(13)14-5-15-11/h2-5H,1H3
InChIKeyQNLPYZCPAUHBSS-UHFFFAOYSA-N
XLogP3.79
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.79
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-(2-chloro-5-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-(3-methylphenoxy)-5-nitropyrimidine
CID 62102169
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041
4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine
CID 55169851
4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-5-nitropyrimidine
CID 62102170
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
CID 80878552
6-(2,5-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725368
4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
CID 107098107
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
CID 60706705
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine (CID 62101505) is 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine is Cc1ccc(Cl)c(Oc2ncnc(Cl)c2[N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine?
The InChIKey is QNLPYZCPAUHBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3/c1-6-2-3-7(12)8(4-6)19-11-9(16(17)18)10(13)14-5-15-11/h2-5H,1H3.
What are the key properties of 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine?
4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine has a molecular weight of 300.10 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine is sourced from PubChem (CID 62101505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).