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

C17H12FN3O2 — CID 126561368

IUPAC2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine
SMILESCc1ccc(-c2nccnc2-c2ccc([N+](=O)[O-])cc2)c(F)c1
InChIInChI=1S/C17H12FN3O2/c1-11-2-7-14(15(18)10-11)17-16(19-8-9-20-17)12-3-5-13(6-4-12)21(22)23/h2-10H,1H3
InChIKeyYOUAHOATOIGQBC-UHFFFAOYSA-N
MW309.30 g/mol
LogP4.17
Rot. Bonds3

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

2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine (PubChem CID 126561368) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine
PubChem CID126561368
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine
SMILESCc1ccc(-c2nccnc2-c2ccc([N+](=O)[O-])cc2)c(F)c1
InChIInChI=1S/C17H12FN3O2/c1-11-2-7-14(15(18)10-11)17-16(19-8-9-20-17)12-3-5-13(6-4-12)21(22)23/h2-10H,1H3
InChIKeyYOUAHOATOIGQBC-UHFFFAOYSA-N
XLogP4.17
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 54.17
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

2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
4-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
N-[1-(2,4-dimethylphenyl)ethyl]-3-(4-nitrophenyl)pyrazin-2-amine
CID 130297376
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline
CID 72735878
1-methyl-4-nitrobenzene tritetrafluoroborate
CID 175186870
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
[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
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine (CID 126561368) is 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine is Cc1ccc(-c2nccnc2-c2ccc([N+](=O)[O-])cc2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine?
The InChIKey is YOUAHOATOIGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-11-2-7-14(15(18)10-11)17-16(19-8-9-20-17)12-3-5-13(6-4-12)21(22)23/h2-10H,1H3.
What are the key properties of 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine?
2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine has a molecular weight of 309.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine is sourced from PubChem (CID 126561368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).