N-methyl-4-nitro-2-pyridin-2-ylaniline

C12H11N3O2 — CID 58174468

IUPACN-methyl-4-nitro-2-pyridin-2-ylaniline
SMILESCNc1ccc([N+](=O)[O-])cc1-c1ccccn1
InChIInChI=1S/C12H11N3O2/c1-13-11-6-5-9(15(16)17)8-10(11)12-4-2-3-7-14-12/h2-8,13H,1H3
InChIKeyHQHFNNFJGLFSGX-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.70
Rot. Bonds3

About N-methyl-4-nitro-2-pyridin-2-ylaniline

N-methyl-4-nitro-2-pyridin-2-ylaniline (PubChem CID 58174468) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-methyl-4-nitro-2-pyridin-2-ylaniline.

Molecular Properties

Compound NameN-methyl-4-nitro-2-pyridin-2-ylaniline
PubChem CID58174468
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-methyl-4-nitro-2-pyridin-2-ylaniline
SMILESCNc1ccc([N+](=O)[O-])cc1-c1ccccn1
InChIInChI=1S/C12H11N3O2/c1-13-11-6-5-9(15(16)17)8-10(11)12-4-2-3-7-14-12/h2-8,13H,1H3
InChIKeyHQHFNNFJGLFSGX-UHFFFAOYSA-N
XLogP2.70
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitro-2-pyridin-2-ylbenzenethiol
CID 135604753
N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
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CID 168986296
benzene;methyl-(4-nitro-2-pyridin-2-ylphenyl)azanide;palladium(2+);pyridine
CID 58174467
(2R)-5-nitro-2-pyridin-2-ylindene-1,3-dione
CID 98115653
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
[2-(methylamino)-5-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18104774
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718
nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540787
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 23104828

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-2-pyridin-2-ylaniline?
The IUPAC name of N-methyl-4-nitro-2-pyridin-2-ylaniline (CID 58174468) is N-methyl-4-nitro-2-pyridin-2-ylaniline.
What is the SMILES notation for N-methyl-4-nitro-2-pyridin-2-ylaniline?
The canonical SMILES for N-methyl-4-nitro-2-pyridin-2-ylaniline is CNc1ccc([N+](=O)[O-])cc1-c1ccccn1.
What is the InChIKey of N-methyl-4-nitro-2-pyridin-2-ylaniline?
The InChIKey is HQHFNNFJGLFSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-13-11-6-5-9(15(16)17)8-10(11)12-4-2-3-7-14-12/h2-8,13H,1H3.
What are the key properties of N-methyl-4-nitro-2-pyridin-2-ylaniline?
N-methyl-4-nitro-2-pyridin-2-ylaniline has a molecular weight of 229.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-2-pyridin-2-ylaniline is sourced from PubChem (CID 58174468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).