2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine

C17H13N3O2 — CID 126530724

IUPAC2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
SMILESCc1ccccc1-c1nccnc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H13N3O2/c1-12-4-2-3-5-15(12)17-16(18-10-11-19-17)13-6-8-14(9-7-13)20(21)22/h2-11H,1H3
InChIKeySDLYKCZRSVOSNC-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine

2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine (PubChem CID 126530724) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
PubChem CID126530724
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
SMILESCc1ccccc1-c1nccnc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H13N3O2/c1-12-4-2-3-5-15(12)17-16(18-10-11-19-17)13-6-8-14(9-7-13)20(21)22/h2-11H,1H3
InChIKeySDLYKCZRSVOSNC-UHFFFAOYSA-N
XLogP4.03
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126561368
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 58200580
2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine
CID 126529003
[3-(4-nitrophenyl)pyrazin-2-yl]hydrazine
CID 112559568
N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
CID 112559321
2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine
CID 130328210
3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
CID 86690158
5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline
CID 72735878
1-methyl-8-(4-nitrophenyl)imidazo[1,5-a]pyridine
CID 171801448
4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine
CID 139599922

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine?
The IUPAC name of 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine (CID 126530724) is 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine.
What is the SMILES notation for 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine?
The canonical SMILES for 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine is Cc1ccccc1-c1nccnc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine?
The InChIKey is SDLYKCZRSVOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-12-4-2-3-5-15(12)17-16(18-10-11-19-17)13-6-8-14(9-7-13)20(21)22/h2-11H,1H3.
What are the key properties of 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine?
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine has a molecular weight of 291.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine is sourced from PubChem (CID 126530724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).