(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone

C13H9N3O5 — CID 11580100

IUPAC(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9N3O5/c14-11-6-5-8(15(18)19)7-10(11)13(17)9-3-1-2-4-12(9)16(20)21/h1-7H,14H2
InChIKeyJTFTUTVKEIUEMD-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.32
Rot. Bonds4

About (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone

(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone (PubChem CID 11580100) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
PubChem CID11580100
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9N3O5/c14-11-6-5-8(15(18)19)7-10(11)13(17)9-3-1-2-4-12(9)16(20)21/h1-7H,14H2
InChIKeyJTFTUTVKEIUEMD-UHFFFAOYSA-N
XLogP2.32
TPSA129.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
CID 15908933
potassium 2-amino-5-nitrobenzoate
CID 171152190
2-(2-aminobenzoyl)-6-nitrobenzoic acid
CID 139660057
(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
2,5-dinitrobenzoyl chloride
CID 13033217
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
benzene;2-nitrobenzoic acid
CID 19891435
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone
CID 71386459
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone?
The IUPAC name of (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone (CID 11580100) is (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone.
What is the SMILES notation for (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone?
The canonical SMILES for (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone is Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone?
The InChIKey is JTFTUTVKEIUEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c14-11-6-5-8(15(18)19)7-10(11)13(17)9-3-1-2-4-12(9)16(20)21/h1-7H,14H2.
What are the key properties of (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone?
(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone has a molecular weight of 287.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone is sourced from PubChem (CID 11580100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).