2-(3-nitrophenoxy)pyrazine

C10H7N3O3 — CID 4784353

IUPAC2-(3-nitrophenoxy)pyrazine
SMILESO=[N+]([O-])c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C10H7N3O3/c14-13(15)8-2-1-3-9(6-8)16-10-7-11-4-5-12-10/h1-7H
InChIKeyLKTHNRMAEFDBKC-UHFFFAOYSA-N
MW217.18 g/mol
LogP2.18
Rot. Bonds3

About 2-(3-nitrophenoxy)pyrazine

2-(3-nitrophenoxy)pyrazine (PubChem CID 4784353) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)pyrazine.

Molecular Properties

Compound Name2-(3-nitrophenoxy)pyrazine
PubChem CID4784353
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name2-(3-nitrophenoxy)pyrazine
SMILESO=[N+]([O-])c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C10H7N3O3/c14-13(15)8-2-1-3-9(6-8)16-10-7-11-4-5-12-10/h1-7H
InChIKeyLKTHNRMAEFDBKC-UHFFFAOYSA-N
XLogP2.18
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 52.18
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-(4-Fluorophenoxy)-3-nitropyridine
CID 2737458
2-(2,4-Difluorophenoxy)-3-nitropyridine
CID 2737038
2-(2-Fluorophenoxy)-3-nitropyridine
CID 2737457
3-Nitro-5-(pyridin-3-yloxy)aniline
CID 4084981
5-Nitro-2-(3-pyridyloxy)pyridine
CID 272939
5-Nitro-2-phenoxypyridine
CID 3252371
3-(Pyrazin-2-yloxy)aniline
CID 3768740
3-Nitro-2-(3-nitrophenoxy)pyridine
CID 253655
3-{3,5-Bisnitrophenoxy}pyridine
CID 4454650
3-Nitro-2-(2-nitrophenoxy)pyridine
CID 4875162
3-Nitro-2-(pyridin-3-yloxy)pyridine
CID 272940
3-[(6-Methylpyrazin-2-yl)oxy]aniline
CID 24229682

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)pyrazine?
The IUPAC name of 2-(3-nitrophenoxy)pyrazine (CID 4784353) is 2-(3-nitrophenoxy)pyrazine.
What is the SMILES notation for 2-(3-nitrophenoxy)pyrazine?
The canonical SMILES for 2-(3-nitrophenoxy)pyrazine is O=[N+]([O-])c1cccc(Oc2cnccn2)c1.
What is the InChIKey of 2-(3-nitrophenoxy)pyrazine?
The InChIKey is LKTHNRMAEFDBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-13(15)8-2-1-3-9(6-8)16-10-7-11-4-5-12-10/h1-7H.
What are the key properties of 2-(3-nitrophenoxy)pyrazine?
2-(3-nitrophenoxy)pyrazine has a molecular weight of 217.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenoxy)pyrazine is sourced from PubChem (CID 4784353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).