2,6-dimethyl-4-(3-nitrophenyl)pyridine

C13H12N2O2 — CID 3016152

IUPAC2,6-dimethyl-4-(3-nitrophenyl)pyridine
SMILESCc1cc(-c2cccc([N+](=O)[O-])c2)cc(C)n1
InChIInChI=1S/C13H12N2O2/c1-9-6-12(7-10(2)14-9)11-4-3-5-13(8-11)15(16)17/h3-8H,1-2H3
InChIKeyFTWIJYIVFAWSLZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.27
Rot. Bonds2

About 2,6-dimethyl-4-(3-nitrophenyl)pyridine

2,6-dimethyl-4-(3-nitrophenyl)pyridine (PubChem CID 3016152) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-nitrophenyl)pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-nitrophenyl)pyridine
PubChem CID3016152
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2,6-dimethyl-4-(3-nitrophenyl)pyridine
SMILESCc1cc(-c2cccc([N+](=O)[O-])c2)cc(C)n1
InChIInChI=1S/C13H12N2O2/c1-9-6-12(7-10(2)14-9)11-4-3-5-13(8-11)15(16)17/h3-8H,1-2H3
InChIKeyFTWIJYIVFAWSLZ-UHFFFAOYSA-N
XLogP3.27
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
CID 141175511
1,4-dimethyl-2-(3-nitrophenyl)imidazole
CID 174565698
6-methyl-2-(3-nitrophenyl)pyrimidine-4-carbaldehyde
CID 62742267
[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine
CID 82192470
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
CID 158238008
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-methyl-3-nitrobenzene
CID 7422
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
1-methyl-2-(3-nitrophenyl)imidazol-4-ol
CID 106952341
2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine
CID 13402562

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-nitrophenyl)pyridine?
The IUPAC name of 2,6-dimethyl-4-(3-nitrophenyl)pyridine (CID 3016152) is 2,6-dimethyl-4-(3-nitrophenyl)pyridine.
What is the SMILES notation for 2,6-dimethyl-4-(3-nitrophenyl)pyridine?
The canonical SMILES for 2,6-dimethyl-4-(3-nitrophenyl)pyridine is Cc1cc(-c2cccc([N+](=O)[O-])c2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(3-nitrophenyl)pyridine?
The InChIKey is FTWIJYIVFAWSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-6-12(7-10(2)14-9)11-4-3-5-13(8-11)15(16)17/h3-8H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(3-nitrophenyl)pyridine?
2,6-dimethyl-4-(3-nitrophenyl)pyridine has a molecular weight of 228.25 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-nitrophenyl)pyridine is sourced from PubChem (CID 3016152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).