6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile

C14H11N3O3 — CID 64593817

IUPAC6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile
SMILESCc1cc(C)c(Oc2cccc(C#N)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11N3O3/c1-9-6-10(2)14(12(7-9)17(18)19)20-13-5-3-4-11(8-15)16-13/h3-7H,1-2H3
InChIKeyUZBLADDAXLAODR-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.27
Rot. Bonds3

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

6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile (PubChem CID 64593817) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile
PubChem CID64593817
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile
SMILESCc1cc(C)c(Oc2cccc(C#N)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11N3O3/c1-9-6-10(2)14(12(7-9)17(18)19)20-13-5-3-4-11(8-15)16-13/h3-7H,1-2H3
InChIKeyUZBLADDAXLAODR-UHFFFAOYSA-N
XLogP3.27
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.27
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'}

Analyze 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile 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

6-(4-bromo-2-methyl-6-nitrophenoxy)pyridine-2-carbonitrile
CID 79843012
6-(2-nitrophenoxy)pyridine-2-carbonitrile
CID 64596158
2-chloro-4-(2,4-dimethyl-6-nitrophenoxy)benzonitrile
CID 62948840
5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
CID 80664421
3-(2,4-dimethyl-6-nitrophenoxy)benzoic acid
CID 63941504
4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde
CID 62099520
5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine
CID 114870736
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
CID 62098338
2-[4-(chloromethyl)phenoxy]-1,5-dimethyl-3-nitrobenzene
CID 63566433
(1S)-1-[2-(2,4-dimethyl-6-nitrophenoxy)phenyl]ethanamine
CID 63370124
5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
CID 115491121
3,6-dichloro-5-(2,4-dimethyl-6-nitrophenoxy)-1,2,4-triazine
CID 81037916

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile (CID 64593817) is 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile is Cc1cc(C)c(Oc2cccc(C#N)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile?
The InChIKey is UZBLADDAXLAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-6-10(2)14(12(7-9)17(18)19)20-13-5-3-4-11(8-15)16-13/h3-7H,1-2H3.
What are the key properties of 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile?
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile has a molecular weight of 269.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 64593817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).