2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine

C14H13BrN2O3 — CID 115402257

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine
SMILESCC(C)c1cc(Br)ccc1Oc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C14H13BrN2O3/c1-9(2)12-7-10(15)3-4-13(12)20-14-8-11(17(18)19)5-6-16-14/h3-9H,1-2H3
InChIKeyJDLGEIXEZKNQCW-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine

2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine (PubChem CID 115402257) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine
PubChem CID115402257
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine
SMILESCC(C)c1cc(Br)ccc1Oc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C14H13BrN2O3/c1-9(2)12-7-10(15)3-4-13(12)20-14-8-11(17(18)19)5-6-16-14/h3-9H,1-2H3
InChIKeyJDLGEIXEZKNQCW-UHFFFAOYSA-N
XLogP4.67
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.67
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

N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
5-(4-bromo-2-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 115402897
1-[5-bromo-2-(2-bromo-5-nitrophenoxy)phenyl]ethanamine
CID 103010587
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
(4-bromo-2-propan-2-ylphenyl) 2-(4-nitrophenoxy)acetate
CID 17188148
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
2-(4-bromo-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 65431452
1-[5-bromo-2-(3-bromo-5-nitrophenoxy)phenyl]ethanol
CID 103588878
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine (CID 115402257) is 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine is CC(C)c1cc(Br)ccc1Oc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine?
The InChIKey is JDLGEIXEZKNQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-9(2)12-7-10(15)3-4-13(12)20-14-8-11(17(18)19)5-6-16-14/h3-9H,1-2H3.
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine?
2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine has a molecular weight of 337.17 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine is sourced from PubChem (CID 115402257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).