7-nitro-1-phenoxyphthalazine

C14H9N3O3 — CID 134868416

IUPAC7-nitro-1-phenoxyphthalazine
SMILESO=[N+]([O-])c1ccc2cnnc(Oc3ccccc3)c2c1
InChIInChI=1S/C14H9N3O3/c18-17(19)11-7-6-10-9-15-16-14(13(10)8-11)20-12-4-2-1-3-5-12/h1-9H
InChIKeyKXZONUCZTGFRSE-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.33
Rot. Bonds3

About 7-nitro-1-phenoxyphthalazine

7-nitro-1-phenoxyphthalazine (PubChem CID 134868416) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 7-nitro-1-phenoxyphthalazine.

Molecular Properties

Compound Name7-nitro-1-phenoxyphthalazine
PubChem CID134868416
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name7-nitro-1-phenoxyphthalazine
SMILESO=[N+]([O-])c1ccc2cnnc(Oc3ccccc3)c2c1
InChIInChI=1S/C14H9N3O3/c18-17(19)11-7-6-10-9-15-16-14(13(10)8-11)20-12-4-2-1-3-5-12/h1-9H
InChIKeyKXZONUCZTGFRSE-UHFFFAOYSA-N
XLogP3.33
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.33
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'}

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Related Compounds

Phthalazine, 1-phenoxy-
CID 613554
1-Methyl-4-(4-nitrophenoxy)phthalazine
CID 2869470
1-(4-Methoxyphenoxy)phthalazine
CID 6410688
Benzenamine, 4-(1-phthalazinyloxy)-
CID 6410689
Phthalazine, 1-(phenylmethoxy)-
CID 6410693
Phthalazine, 1-(4-fluorophenoxy)-
CID 6410697
6-Nitro-4-phenoxycinnoline
CID 22252590
3-[5-Nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridazine
CID 71283895
4-Methyl-1-[(3-nitrophenyl)methoxy]phthalazine
CID 3131354
4-(4-Methoxyphenyl)-8-(3-nitrophenyl)cinnoline
CID 15891219
7-Nitro-4-phenoxycinnoline
CID 134914601
1-(4-Methoxyphenyl)-2-oxidophthalazin-2-ium
CID 135058363

Frequently Asked Questions

What is the IUPAC name of 7-nitro-1-phenoxyphthalazine?
The IUPAC name of 7-nitro-1-phenoxyphthalazine (CID 134868416) is 7-nitro-1-phenoxyphthalazine.
What is the SMILES notation for 7-nitro-1-phenoxyphthalazine?
The canonical SMILES for 7-nitro-1-phenoxyphthalazine is O=[N+]([O-])c1ccc2cnnc(Oc3ccccc3)c2c1.
What is the InChIKey of 7-nitro-1-phenoxyphthalazine?
The InChIKey is KXZONUCZTGFRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-17(19)11-7-6-10-9-15-16-14(13(10)8-11)20-12-4-2-1-3-5-12/h1-9H.
What are the key properties of 7-nitro-1-phenoxyphthalazine?
7-nitro-1-phenoxyphthalazine has a molecular weight of 267.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1-phenoxyphthalazine is sourced from PubChem (CID 134868416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).