2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine

C13H11BrN2O3 — CID 81131436

IUPAC2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
SMILESCc1ccc(Oc2nc(C)ccc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C13H11BrN2O3/c1-8-3-6-12(10(14)7-8)19-13-11(16(17)18)5-4-9(2)15-13/h3-7H,1-2H3
InChIKeyAOHVKFXDPWEXMX-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.16
Rot. Bonds3

About 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine

2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine (PubChem CID 81131436) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
PubChem CID81131436
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
SMILESCc1ccc(Oc2nc(C)ccc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C13H11BrN2O3/c1-8-3-6-12(10(14)7-8)19-13-11(16(17)18)5-4-9(2)15-13/h3-7H,1-2H3
InChIKeyAOHVKFXDPWEXMX-UHFFFAOYSA-N
XLogP4.16
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.16
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

2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-(2-bromo-4-methylphenoxy)-2-nitroaniline
CID 106751987
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
2-(2-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131791
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine (CID 81131436) is 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine is Cc1ccc(Oc2nc(C)ccc2[N+](=O)[O-])c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine?
The InChIKey is AOHVKFXDPWEXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-8-3-6-12(10(14)7-8)19-13-11(16(17)18)5-4-9(2)15-13/h3-7H,1-2H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine?
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine has a molecular weight of 323.15 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine is sourced from PubChem (CID 81131436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).