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

C14H14N2O2 — CID 141175511

IUPAC2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
SMILESCc1cc(C)c(-c2cccc([N+](=O)[O-])c2)c(C)n1
InChIInChI=1S/C14H14N2O2/c1-9-7-10(2)15-11(3)14(9)12-5-4-6-13(8-12)16(17)18/h4-8H,1-3H3
InChIKeyAIPXAZJHHGWDGY-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.58
Rot. Bonds2

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

2,4,6-trimethyl-3-(3-nitrophenyl)pyridine (PubChem CID 141175511) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine.

Molecular Properties

Compound Name2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
PubChem CID141175511
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
SMILESCc1cc(C)c(-c2cccc([N+](=O)[O-])c2)c(C)n1
InChIInChI=1S/C14H14N2O2/c1-9-7-10(2)15-11(3)14(9)12-5-4-6-13(8-12)16(17)18/h4-8H,1-3H3
InChIKeyAIPXAZJHHGWDGY-UHFFFAOYSA-N
XLogP3.58
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.58
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

2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
CID 158238008
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
carbamoyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
CID 88690561
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
CID 10331419
4-chloro-2,5-dimethyl-3-(3-nitrophenyl)phenol
CID 91006237
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
7-methyl-2-(3-nitrophenyl)-[1,3]thiazolo[5,4-d]pyrimidine
CID 23158990

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine?
The IUPAC name of 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine (CID 141175511) is 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine.
What is the SMILES notation for 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine?
The canonical SMILES for 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine is Cc1cc(C)c(-c2cccc([N+](=O)[O-])c2)c(C)n1.
What is the InChIKey of 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine?
The InChIKey is AIPXAZJHHGWDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-10(2)15-11(3)14(9)12-5-4-6-13(8-12)16(17)18/h4-8H,1-3H3.
What are the key properties of 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine?
2,4,6-trimethyl-3-(3-nitrophenyl)pyridine has a molecular weight of 242.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-(3-nitrophenyl)pyridine is sourced from PubChem (CID 141175511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).