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

C16H9ClFN3O2 — CID 126530401

IUPAC2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine
SMILESO=[N+]([O-])c1ccccc1-c1nccnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C16H9ClFN3O2/c17-13-9-10(18)5-6-11(13)15-16(20-8-7-19-15)12-3-1-2-4-14(12)21(22)23/h1-9H
InChIKeyOYFTXUFIOPFHAR-UHFFFAOYSA-N
MW329.72 g/mol
LogP4.51
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine (PubChem CID 126530401) has the molecular formula C16H9ClFN3O2 and a molecular weight of 329.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine
PubChem CID126530401
Molecular FormulaC16H9ClFN3O2
Molecular Weight329.72 g/mol
Exact Mass329.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine
SMILESO=[N+]([O-])c1ccccc1-c1nccnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C16H9ClFN3O2/c17-13-9-10(18)5-6-11(13)15-16(20-8-7-19-15)12-3-1-2-4-14(12)21(22)23/h1-9H
InChIKeyOYFTXUFIOPFHAR-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-(2-nitrophenyl)pyrazine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine (CID 126530401) is 2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine is O=[N+]([O-])c1ccccc1-c1nccnc1-c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine?
The InChIKey is OYFTXUFIOPFHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3O2/c17-13-9-10(18)5-6-11(13)15-16(20-8-7-19-15)12-3-1-2-4-14(12)21(22)23/h1-9H.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-3-(2-nitrophenyl)pyrazine?
2-(2-chloro-4-fluorophenyl)-3-(2-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-(2-nitrophenyl)pyrazine is sourced from PubChem (CID 126530401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).