2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine

C13H12ClN3O4 — CID 103201617

IUPAC2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
SMILESCOc1ccc(Oc2nc(C)c(C)nc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O4/c1-7-8(2)16-13(12(14)15-7)21-9-4-5-11(20-3)10(6-9)17(18)19/h4-6H,1-3H3
InChIKeyYJNLANTZCDWYAH-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.46
Rot. Bonds4

About 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine

2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine (PubChem CID 103201617) has the molecular formula C13H12ClN3O4 and a molecular weight of 309.71 g/mol. Its IUPAC name is 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
PubChem CID103201617
Molecular FormulaC13H12ClN3O4
Molecular Weight309.71 g/mol
Exact Mass309.05
IUPAC Name2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
SMILESCOc1ccc(Oc2nc(C)c(C)nc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O4/c1-7-8(2)16-13(12(14)15-7)21-9-4-5-11(20-3)10(6-9)17(18)19/h4-6H,1-3H3
InChIKeyYJNLANTZCDWYAH-UHFFFAOYSA-N
XLogP3.46
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine 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

5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
3,6-dichloro-5-(4-methoxy-2-nitrophenoxy)-1,2,4-triazine
CID 81037104
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
3-chloro-4-(4-methoxy-2-nitrophenoxy)-1,2,5-thiadiazole
CID 60726071
4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
CID 103483229
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
3-(4-methoxy-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 103201652
5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202406
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine?
The IUPAC name of 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine (CID 103201617) is 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine.
What is the SMILES notation for 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine?
The canonical SMILES for 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine is COc1ccc(Oc2nc(C)c(C)nc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine?
The InChIKey is YJNLANTZCDWYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4/c1-7-8(2)16-13(12(14)15-7)21-9-4-5-11(20-3)10(6-9)17(18)19/h4-6H,1-3H3.
What are the key properties of 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine?
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine has a molecular weight of 309.71 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine is sourced from PubChem (CID 103201617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).