3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine

C17H10F3N3O3 — CID 71283895

IUPAC3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine
SMILESO=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)c(-c2cccnn2)c1
InChIInChI=1S/C17H10F3N3O3/c18-17(19,20)26-16-6-2-1-4-13(16)12-8-7-11(23(24)25)10-14(12)15-5-3-9-21-22-15/h1-10H
InChIKeyDXLYAOJOTUSGAK-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.62
Rot. Bonds4

About 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine

3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine (PubChem CID 71283895) has the molecular formula C17H10F3N3O3 and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine
PubChem CID71283895
Molecular FormulaC17H10F3N3O3
Molecular Weight361.28 g/mol
Exact Mass361.07
IUPAC Name3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine
SMILESO=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)c(-c2cccnn2)c1
InChIInChI=1S/C17H10F3N3O3/c18-17(19,20)26-16-6-2-1-4-13(16)12-8-7-11(23(24)25)10-14(12)15-5-3-9-21-22-15/h1-10H
InChIKeyDXLYAOJOTUSGAK-UHFFFAOYSA-N
XLogP4.62
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.62
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'}

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Related Compounds

5-Methyl-1-oxido-3-[3-(trifluoromethoxy)phenyl]pyridazin-1-ium
CID 20226920
1-Methyl-5-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole
CID 71285756
1-Methyl-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole
CID 71285942
2-[5-Nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 71285949
3-[4-(Trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142673952
7-Nitro-1-phenoxyphthalazine
CID 134868416
3,4-Bis-(4-methoxyphenyl)pyridazine 1-oxide
CID 12568122
3-(4-Methoxyphenyl)-1-oxido-4-phenylpyridazin-1-ium
CID 18760024
4-(2-Methoxy-4-nitrophenyl)-6-methylpyridazine 1-oxide
CID 66857993
7-Methoxy-1-(4-nitrophenyl)phthalazine
CID 70062622
5-(2-Methoxy-4-nitrophenyl)-3-methylpyridazine
CID 91267097
4-(2-Methoxy-4-nitrophenyl)pyridazine
CID 117799590

Frequently Asked Questions

What is the IUPAC name of 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine?
The IUPAC name of 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine (CID 71283895) is 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine.
What is the SMILES notation for 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine?
The canonical SMILES for 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine is O=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)c(-c2cccnn2)c1.
What is the InChIKey of 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine?
The InChIKey is DXLYAOJOTUSGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O3/c18-17(19,20)26-16-6-2-1-4-13(16)12-8-7-11(23(24)25)10-14(12)15-5-3-9-21-22-15/h1-10H.
What are the key properties of 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine?
3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine has a molecular weight of 361.28 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine is sourced from PubChem (CID 71283895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).