bis[2-(3-nitrophenyl)-4-pyridinyl]methanone

C23H14N4O5 — CID 141011336

IUPACbis[2-(3-nitrophenyl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-c2cccc([N+](=O)[O-])c2)c1)c1ccnc(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C23H14N4O5/c28-23(17-7-9-24-21(13-17)15-3-1-5-19(11-15)26(29)30)18-8-10-25-22(14-18)16-4-2-6-20(12-16)27(31)32/h1-14H
InChIKeyIFMMNZDRHDWDQE-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.86
Rot. Bonds6

About bis[2-(3-nitrophenyl)-4-pyridinyl]methanone

bis[2-(3-nitrophenyl)-4-pyridinyl]methanone (PubChem CID 141011336) has the molecular formula C23H14N4O5 and a molecular weight of 426.39 g/mol. Its IUPAC name is bis[2-(3-nitrophenyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Namebis[2-(3-nitrophenyl)-4-pyridinyl]methanone
PubChem CID141011336
Molecular FormulaC23H14N4O5
Molecular Weight426.39 g/mol
Exact Mass426.10
IUPAC Namebis[2-(3-nitrophenyl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-c2cccc([N+](=O)[O-])c2)c1)c1ccnc(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C23H14N4O5/c28-23(17-7-9-24-21(13-17)15-3-1-5-19(11-15)26(29)30)18-8-10-25-22(14-18)16-4-2-6-20(12-16)27(31)32/h1-14H
InChIKeyIFMMNZDRHDWDQE-UHFFFAOYSA-N
XLogP4.86
TPSA129.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.86
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'}

Analyze bis[2-(3-nitrophenyl)-4-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(3-nitrophenyl)pyridin-4-amine
CID 102824677
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
4-(3-nitrobenzoyl)benzoic acid
CID 803392
[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
CID 86047194
(3,4-dinitrophenyl)-(3-nitrophenyl)methanone
CID 3092902
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid
CID 175535252
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
(3,4-dimethylphenyl)-(3-nitrophenyl)methanone
CID 3084858
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone
CID 135065441

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-nitrophenyl)-4-pyridinyl]methanone?
The IUPAC name of bis[2-(3-nitrophenyl)-4-pyridinyl]methanone (CID 141011336) is bis[2-(3-nitrophenyl)-4-pyridinyl]methanone.
What is the SMILES notation for bis[2-(3-nitrophenyl)-4-pyridinyl]methanone?
The canonical SMILES for bis[2-(3-nitrophenyl)-4-pyridinyl]methanone is O=C(c1ccnc(-c2cccc([N+](=O)[O-])c2)c1)c1ccnc(-c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of bis[2-(3-nitrophenyl)-4-pyridinyl]methanone?
The InChIKey is IFMMNZDRHDWDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O5/c28-23(17-7-9-24-21(13-17)15-3-1-5-19(11-15)26(29)30)18-8-10-25-22(14-18)16-4-2-6-20(12-16)27(31)32/h1-14H.
What are the key properties of bis[2-(3-nitrophenyl)-4-pyridinyl]methanone?
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone has a molecular weight of 426.39 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-nitrophenyl)-4-pyridinyl]methanone is sourced from PubChem (CID 141011336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).