2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine

C18H14ClN3O3 — CID 175164450

IUPAC2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nccnc2OCCc2ccccc2Cl)cc1
InChIInChI=1S/C18H14ClN3O3/c19-16-4-2-1-3-13(16)9-12-25-18-17(20-10-11-21-18)14-5-7-15(8-6-14)22(23)24/h1-8,10-11H,9,12H2
InChIKeyVODVCYXQFKDNEQ-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.33
Rot. Bonds6

About 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine

2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine (PubChem CID 175164450) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
PubChem CID175164450
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nccnc2OCCc2ccccc2Cl)cc1
InChIInChI=1S/C18H14ClN3O3/c19-16-4-2-1-3-13(16)9-12-25-18-17(20-10-11-21-18)14-5-7-15(8-6-14)22(23)24/h1-8,10-11H,9,12H2
InChIKeyVODVCYXQFKDNEQ-UHFFFAOYSA-N
XLogP4.33
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.33
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'}

Analyze 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-cyclopropylphenyl)ethoxy]-3-(4-nitrophenyl)pyrazine
CID 126529968
2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine
CID 126529003
2-[2-(4-nitrophenoxy)ethyl]phenol
CID 71616729
4-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 43519911
2-[1-(4-nitrophenyl)isoquinolin-5-yl]acetic acid
CID 12851866
3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 29252079
[3-(4-nitrophenyl)pyrazin-2-yl]hydrazine
CID 112559568
2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine
CID 130328210
N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
CID 112559321

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine?
The IUPAC name of 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine (CID 175164450) is 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine is O=[N+]([O-])c1ccc(-c2nccnc2OCCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine?
The InChIKey is VODVCYXQFKDNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-16-4-2-1-3-13(16)9-12-25-18-17(20-10-11-21-18)14-5-7-15(8-6-14)22(23)24/h1-8,10-11H,9,12H2.
What are the key properties of 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine?
2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine has a molecular weight of 355.78 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethoxy]-3-(4-nitrophenyl)pyrazine is sourced from PubChem (CID 175164450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).