2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile

C15H13N3O3 — CID 81061226

IUPAC2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile
SMILESCc1ccc([N+](=O)[O-])c(Oc2cc(C)nc(C)c2C#N)c1
InChIInChI=1S/C15H13N3O3/c1-9-4-5-13(18(19)20)15(6-9)21-14-7-10(2)17-11(3)12(14)8-16/h4-7H,1-3H3
InChIKeyGSUSZRUHAOFPLB-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.58
Rot. Bonds3

About 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile

2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile (PubChem CID 81061226) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile
PubChem CID81061226
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile
SMILESCc1ccc([N+](=O)[O-])c(Oc2cc(C)nc(C)c2C#N)c1
InChIInChI=1S/C15H13N3O3/c1-9-4-5-13(18(19)20)15(6-9)21-14-7-10(2)17-11(3)12(14)8-16/h4-7H,1-3H3
InChIKeyGSUSZRUHAOFPLB-UHFFFAOYSA-N
XLogP3.58
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-methyl-2-(5-methyl-2-nitrophenoxy)benzonitrile
CID 107928162
1,3-dimethyl-5-(5-methyl-2-nitrophenoxy)pyrazole-4-carbonitrile
CID 63750664
3-chloro-5-(5-methyl-2-nitrophenoxy)-1,2-thiazole-4-carbonitrile
CID 133426077
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80870775
2-(5-methoxy-2-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546076
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
CID 103174694
2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-methylbenzonitrile
CID 103483239
2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile (CID 81061226) is 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile is Cc1ccc([N+](=O)[O-])c(Oc2cc(C)nc(C)c2C#N)c1.
What is the InChIKey of 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile?
The InChIKey is GSUSZRUHAOFPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-4-5-13(18(19)20)15(6-9)21-14-7-10(2)17-11(3)12(14)8-16/h4-7H,1-3H3.
What are the key properties of 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile?
2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile has a molecular weight of 283.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 81061226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).