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

C12H9Cl2N3O3 — CID 107716558

IUPAC2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(Oc2c(Cl)cccc2[N+](=O)[O-])nc1C
InChIInChI=1S/C12H9Cl2N3O3/c1-6-7(2)16-12(11(14)15-6)20-10-8(13)4-3-5-9(10)17(18)19/h3-5H,1-2H3
InChIKeyLKPWJTXWANXUAA-UHFFFAOYSA-N
MW314.13 g/mol
LogP4.10
Rot. Bonds3

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

2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine (PubChem CID 107716558) has the molecular formula C12H9Cl2N3O3 and a molecular weight of 314.13 g/mol. Its IUPAC name is 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine
PubChem CID107716558
Molecular FormulaC12H9Cl2N3O3
Molecular Weight314.13 g/mol
Exact Mass313.00
IUPAC Name2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(Oc2c(Cl)cccc2[N+](=O)[O-])nc1C
InChIInChI=1S/C12H9Cl2N3O3/c1-6-7(2)16-12(11(14)15-6)20-10-8(13)4-3-5-9(10)17(18)19/h3-5H,1-2H3
InChIKeyLKPWJTXWANXUAA-UHFFFAOYSA-N
XLogP4.10
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 54.10
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'}

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Related Compounds

2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine
CID 107716661
4-(2-chloro-6-nitrophenoxy)-2,3,5,6-tetrafluoropyridine
CID 107716626
6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107719391
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
2-(4-bromo-2-methylphenoxy)-1-chloro-3-nitrobenzene
CID 114062733
3-chloro-2-(2-chloro-6-nitrophenoxy)pyridine-4-carboxylic acid
CID 107718864
2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
CID 103483229
4-chloro-2,5-dimethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63734876
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
1-chloro-2-methyl-3-nitrobenzene
CID 6740
1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol
CID 107717274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine?
The IUPAC name of 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine (CID 107716558) is 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine.
What is the SMILES notation for 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine?
The canonical SMILES for 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine is Cc1nc(Cl)c(Oc2c(Cl)cccc2[N+](=O)[O-])nc1C.
What is the InChIKey of 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine?
The InChIKey is LKPWJTXWANXUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3/c1-6-7(2)16-12(11(14)15-6)20-10-8(13)4-3-5-9(10)17(18)19/h3-5H,1-2H3.
What are the key properties of 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine?
2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine has a molecular weight of 314.13 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine is sourced from PubChem (CID 107716558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).