2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine

C11H8ClN3O4 — CID 62111115

IUPAC2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)n1
InChIInChI=1S/C11H8ClN3O4/c1-18-9-4-7(15(16)17)2-3-8(9)19-11-6-13-5-10(12)14-11/h2-6H,1H3
InChIKeyRDTFZQRUOBTRTC-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.84
Rot. Bonds4

About 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine

2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine (PubChem CID 62111115) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
PubChem CID62111115
Molecular FormulaC11H8ClN3O4
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC Name2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)n1
InChIInChI=1S/C11H8ClN3O4/c1-18-9-4-7(15(16)17)2-3-8(9)19-11-6-13-5-10(12)14-11/h2-6H,1H3
InChIKeyRDTFZQRUOBTRTC-UHFFFAOYSA-N
XLogP2.84
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.84
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'}

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Related Compounds

4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane
CID 143108320
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111
2-chloro-6-(2-methoxyphenoxy)pyrazine
CID 61057285
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
CID 63961925
2-chloro-6-(2,6-dichloro-4-nitrophenoxy)pyrazine
CID 62097953
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
CID 113305652
6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 113369611
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
CID 83268776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine?
The IUPAC name of 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine (CID 62111115) is 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine.
What is the SMILES notation for 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine?
The canonical SMILES for 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine is COc1cc([N+](=O)[O-])ccc1Oc1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine?
The InChIKey is RDTFZQRUOBTRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c1-18-9-4-7(15(16)17)2-3-8(9)19-11-6-13-5-10(12)14-11/h2-6H,1H3.
What are the key properties of 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine?
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine has a molecular weight of 281.66 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine is sourced from PubChem (CID 62111115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).