2-ethyl-5-(4-nitrophenoxy)pyrazine

C12H11N3O3 — CID 166924609

IUPAC2-ethyl-5-(4-nitrophenoxy)pyrazine
SMILESCCc1cnc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H11N3O3/c1-2-9-7-14-12(8-13-9)18-11-5-3-10(4-6-11)15(16)17/h3-8H,2H2,1H3
InChIKeyDILQYYDXKWKZBM-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.74
Rot. Bonds4

About 2-ethyl-5-(4-nitrophenoxy)pyrazine

2-ethyl-5-(4-nitrophenoxy)pyrazine (PubChem CID 166924609) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-ethyl-5-(4-nitrophenoxy)pyrazine.

Molecular Properties

Compound Name2-ethyl-5-(4-nitrophenoxy)pyrazine
PubChem CID166924609
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-ethyl-5-(4-nitrophenoxy)pyrazine
SMILESCCc1cnc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H11N3O3/c1-2-9-7-14-12(8-13-9)18-11-5-3-10(4-6-11)15(16)17/h3-8H,2H2,1H3
InChIKeyDILQYYDXKWKZBM-UHFFFAOYSA-N
XLogP2.74
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.74
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

5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
2-[4-(1-bromoethyl)phenoxy]-5-nitropyridine;2-(4-ethylphenoxy)-5-nitropyridine
CID 161213807
2-methyl-5-[(4-nitrophenoxy)methyl]pyrazine
CID 162519984
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
2-ethyl-N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine
CID 80942472
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
2-[6-(4-nitrophenoxy)-3-pyridinyl]ethanesulfonic acid
CID 158050315
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
2-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
2-fluoro-4-(4-nitrophenoxy)pyrimidine
CID 133055231

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-nitrophenoxy)pyrazine?
The IUPAC name of 2-ethyl-5-(4-nitrophenoxy)pyrazine (CID 166924609) is 2-ethyl-5-(4-nitrophenoxy)pyrazine.
What is the SMILES notation for 2-ethyl-5-(4-nitrophenoxy)pyrazine?
The canonical SMILES for 2-ethyl-5-(4-nitrophenoxy)pyrazine is CCc1cnc(Oc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 2-ethyl-5-(4-nitrophenoxy)pyrazine?
The InChIKey is DILQYYDXKWKZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-9-7-14-12(8-13-9)18-11-5-3-10(4-6-11)15(16)17/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-5-(4-nitrophenoxy)pyrazine?
2-ethyl-5-(4-nitrophenoxy)pyrazine has a molecular weight of 245.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-nitrophenoxy)pyrazine is sourced from PubChem (CID 166924609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).