[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone

C19H11N3O6 — CID 86047194

IUPAC[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1cccc(C(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H11N3O6/c23-18(12-4-1-6-14(10-12)21(25)26)16-8-3-9-17(20-16)19(24)13-5-2-7-15(11-13)22(27)28/h1-11H
InChIKeyKWCZBKCBNPITRO-UHFFFAOYSA-N
MW377.31 g/mol
LogP3.36
Rot. Bonds6

About [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone

[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone (PubChem CID 86047194) has the molecular formula C19H11N3O6 and a molecular weight of 377.31 g/mol. Its IUPAC name is [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
PubChem CID86047194
Molecular FormulaC19H11N3O6
Molecular Weight377.31 g/mol
Exact Mass377.06
IUPAC Name[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1cccc(C(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H11N3O6/c23-18(12-4-1-6-14(10-12)21(25)26)16-8-3-9-17(20-16)19(24)13-5-2-7-15(11-13)22(27)28/h1-11H
InChIKeyKWCZBKCBNPITRO-UHFFFAOYSA-N
XLogP3.36
TPSA133.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

4-(3-nitrobenzoyl)benzoic acid
CID 803392
(3,4-dinitrophenyl)-(3-nitrophenyl)methanone
CID 3092902
3-nitrobenzoyl iodide
CID 87511250
(3,4-dimethylphenyl)-(3-nitrophenyl)methanone
CID 3084858
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
(5-methyl-1,2,4-oxadiazol-3-yl)-(3-nitrophenyl)methanone
CID 24766083
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
4-(3-nitrobenzoyl)phthalate
CID 4097482
2-(3-nitrobenzoyl)benzoyl chloride
CID 86186966
1-(3-nitrophenyl)ethenol
CID 12600881
2-chloro-1-(3-nitrophenyl)ethanone
CID 7437
cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484

Frequently Asked Questions

What is the IUPAC name of [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone?
The IUPAC name of [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone (CID 86047194) is [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone.
What is the SMILES notation for [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone?
The canonical SMILES for [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone is O=C(c1cccc([N+](=O)[O-])c1)c1cccc(C(=O)c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone?
The InChIKey is KWCZBKCBNPITRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O6/c23-18(12-4-1-6-14(10-12)21(25)26)16-8-3-9-17(20-16)19(24)13-5-2-7-15(11-13)22(27)28/h1-11H.
What are the key properties of [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone?
[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone has a molecular weight of 377.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone is sourced from PubChem (CID 86047194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).