5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine

C14H13BrN2O4 — CID 61374167

IUPAC5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
SMILESCCCOc1ccccc1Oc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13BrN2O4/c1-2-7-20-12-5-3-4-6-13(12)21-14-11(17(18)19)8-10(15)9-16-14/h3-6,8-9H,2,7H2,1H3
InChIKeyQCNRSICVJYJAQF-UHFFFAOYSA-N
MW353.17 g/mol
LogP4.33
Rot. Bonds6

About 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine

5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine (PubChem CID 61374167) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
PubChem CID61374167
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
SMILESCCCOc1ccccc1Oc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13BrN2O4/c1-2-7-20-12-5-3-4-6-13(12)21-14-11(17(18)19)8-10(15)9-16-14/h3-6,8-9H,2,7H2,1H3
InChIKeyQCNRSICVJYJAQF-UHFFFAOYSA-N
XLogP4.33
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 54.33
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'}

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Related Compounds

5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
CID 107667629
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103175419
4-bromo-2-nitro-1-propoxybenzene
CID 61373992
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
5-bromo-3-nitro-2-pent-4-enoxypyridine
CID 79114231
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
CID 103583764

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine?
The IUPAC name of 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine (CID 61374167) is 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine?
The canonical SMILES for 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine is CCCOc1ccccc1Oc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine?
The InChIKey is QCNRSICVJYJAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-2-7-20-12-5-3-4-6-13(12)21-14-11(17(18)19)8-10(15)9-16-14/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine?
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine has a molecular weight of 353.17 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine is sourced from PubChem (CID 61374167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).