6-nitro-2-phenylphthalazin-1-one

C14H9N3O3 — CID 86148503

IUPAC6-nitro-2-phenylphthalazin-1-one
SMILESO=c1c2ccc([N+](=O)[O-])cc2cnn1-c1ccccc1
InChIInChI=1S/C14H9N3O3/c18-14-13-7-6-12(17(19)20)8-10(13)9-15-16(14)11-4-2-1-3-5-11/h1-9H
InChIKeyBKCSFOJOJYKASY-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.29
Rot. Bonds2

About 6-nitro-2-phenylphthalazin-1-one

6-nitro-2-phenylphthalazin-1-one (PubChem CID 86148503) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-nitro-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name6-nitro-2-phenylphthalazin-1-one
PubChem CID86148503
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name6-nitro-2-phenylphthalazin-1-one
SMILESO=c1c2ccc([N+](=O)[O-])cc2cnn1-c1ccccc1
InChIInChI=1S/C14H9N3O3/c18-14-13-7-6-12(17(19)20)8-10(13)9-15-16(14)11-4-2-1-3-5-11/h1-9H
InChIKeyBKCSFOJOJYKASY-UHFFFAOYSA-N
XLogP2.29
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.29
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

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2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
CID 71593660
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3,5-dinitro-1-phenylindazole
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2-(4-nitroanilino)phthalazin-1-one
CID 175939921
3-amino-7-nitro-2,4-diphenylisoquinolin-1-one
CID 15696009
7-nitro-2-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]quinazoline
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5-chloro-4-nitro-1-phenylpyrazole
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Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-phenylphthalazin-1-one?
The IUPAC name of 6-nitro-2-phenylphthalazin-1-one (CID 86148503) is 6-nitro-2-phenylphthalazin-1-one.
What is the SMILES notation for 6-nitro-2-phenylphthalazin-1-one?
The canonical SMILES for 6-nitro-2-phenylphthalazin-1-one is O=c1c2ccc([N+](=O)[O-])cc2cnn1-c1ccccc1.
What is the InChIKey of 6-nitro-2-phenylphthalazin-1-one?
The InChIKey is BKCSFOJOJYKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14-13-7-6-12(17(19)20)8-10(13)9-15-16(14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 6-nitro-2-phenylphthalazin-1-one?
6-nitro-2-phenylphthalazin-1-one has a molecular weight of 267.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-phenylphthalazin-1-one is sourced from PubChem (CID 86148503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).