5-bromo-3-nitro-2-propan-2-yloxypyridine

C8H9BrN2O3 — CID 61373982

IUPAC5-bromo-3-nitro-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9BrN2O3/c1-5(2)14-8-7(11(12)13)3-6(9)4-10-8/h3-5H,1-2H3
InChIKeyMGVQWQOWZBPANU-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.54
Rot. Bonds3

About 5-bromo-3-nitro-2-propan-2-yloxypyridine

5-bromo-3-nitro-2-propan-2-yloxypyridine (PubChem CID 61373982) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-propan-2-yloxypyridine
PubChem CID61373982
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name5-bromo-3-nitro-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9BrN2O3/c1-5(2)14-8-7(11(12)13)3-6(9)4-10-8/h3-5H,1-2H3
InChIKeyMGVQWQOWZBPANU-UHFFFAOYSA-N
XLogP2.54
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.54
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-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
CID 61374175
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
CID 175382524
5-bromo-3-nitro-2-pent-4-enoxypyridine
CID 79114231
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
5-bromo-2-(1-methylpiperidin-4-yl)oxy-3-nitropyridine
CID 61374363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-propan-2-yloxypyridine?
The IUPAC name of 5-bromo-3-nitro-2-propan-2-yloxypyridine (CID 61373982) is 5-bromo-3-nitro-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-propan-2-yloxypyridine?
The canonical SMILES for 5-bromo-3-nitro-2-propan-2-yloxypyridine is CC(C)Oc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-3-nitro-2-propan-2-yloxypyridine?
The InChIKey is MGVQWQOWZBPANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-5(2)14-8-7(11(12)13)3-6(9)4-10-8/h3-5H,1-2H3.
What are the key properties of 5-bromo-3-nitro-2-propan-2-yloxypyridine?
5-bromo-3-nitro-2-propan-2-yloxypyridine has a molecular weight of 261.07 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-propan-2-yloxypyridine is sourced from PubChem (CID 61373982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).