2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine

C16H9ClFN3O2 — CID 126529025

IUPAC2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nccnc2-c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H9ClFN3O2/c17-14-9-11(18)3-6-13(14)16-15(19-7-8-20-16)10-1-4-12(5-2-10)21(22)23/h1-9H
InChIKeyGVOVRUIITAIVNK-UHFFFAOYSA-N
MW329.72 g/mol
LogP4.51
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine

2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine (PubChem CID 126529025) has the molecular formula C16H9ClFN3O2 and a molecular weight of 329.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine
PubChem CID126529025
Molecular FormulaC16H9ClFN3O2
Molecular Weight329.72 g/mol
Exact Mass329.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nccnc2-c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H9ClFN3O2/c17-14-9-11(18)3-6-13(14)16-15(19-7-8-20-16)10-1-4-12(5-2-10)21(22)23/h1-9H
InChIKeyGVOVRUIITAIVNK-UHFFFAOYSA-N
XLogP4.51
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.72
LogP ≤ 54.51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine (CID 126529025) is 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine is O=[N+]([O-])c1ccc(-c2nccnc2-c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine?
The InChIKey is GVOVRUIITAIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3O2/c17-14-9-11(18)3-6-13(14)16-15(19-7-8-20-16)10-1-4-12(5-2-10)21(22)23/h1-9H.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine?
2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine has a molecular weight of 329.72 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-3-(4-nitrophenyl)pyrazine is sourced from PubChem (CID 126529025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).