5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine

C14H13BrN2O3 — CID 114870736

IUPAC5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine
SMILESCc1cc(C)c(Oc2cc(C)c(Br)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13BrN2O3/c1-8-4-10(3)14(12(5-8)17(18)19)20-13-6-9(2)11(15)7-16-13/h4-7H,1-3H3
InChIKeyNELSPWADQPRUJG-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.47
Rot. Bonds3

About 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine

5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine (PubChem CID 114870736) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine
PubChem CID114870736
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine
SMILESCc1cc(C)c(Oc2cc(C)c(Br)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13BrN2O3/c1-8-4-10(3)14(12(5-8)17(18)19)20-13-6-9(2)11(15)7-16-13/h4-7H,1-3H3
InChIKeyNELSPWADQPRUJG-UHFFFAOYSA-N
XLogP4.47
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.47
H-Bond Donors ≤ 50
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

5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
CID 80664421
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
CID 62098338
2-bromo-5-(2,4-dimethyl-6-nitrophenoxy)-1,3,4-thiadiazole
CID 64623238
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103589277
5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
CID 115491121
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile
CID 64593817
4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloropyrimidin-2-amine
CID 80738864
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
1-bromo-2-methoxy-5-methyl-3-nitrobenzene;ethane
CID 166130552
5-bromo-4-methyl-2-(4-methylphenoxy)pyridine
CID 114870650
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine (CID 114870736) is 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine is Cc1cc(C)c(Oc2cc(C)c(Br)cn2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine?
The InChIKey is NELSPWADQPRUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-4-10(3)14(12(5-8)17(18)19)20-13-6-9(2)11(15)7-16-13/h4-7H,1-3H3.
What are the key properties of 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine?
5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine has a molecular weight of 337.17 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine is sourced from PubChem (CID 114870736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).