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

C18H13BrN2O4 — CID 166176140

IUPAC5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H13BrN2O4/c19-14-10-15(21(22)23)18(20-11-14)25-17-9-5-4-8-16(17)24-12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyGNDQLUJTDBPIAX-UHFFFAOYSA-N
MW401.22 g/mol
LogP5.12
Rot. Bonds6

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

5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine (PubChem CID 166176140) has the molecular formula C18H13BrN2O4 and a molecular weight of 401.22 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
PubChem CID166176140
Molecular FormulaC18H13BrN2O4
Molecular Weight401.22 g/mol
Exact Mass400.01
IUPAC Name5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H13BrN2O4/c19-14-10-15(21(22)23)18(20-11-14)25-17-9-5-4-8-16(17)24-12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyGNDQLUJTDBPIAX-UHFFFAOYSA-N
XLogP5.12
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 55.12
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

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CID 61374167
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4-bromo-2-nitro-1-phenylmethoxybenzene
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5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
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5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
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CID 39528226
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103175419
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine?
The IUPAC name of 5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine (CID 166176140) is 5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine?
The canonical SMILES for 5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine is O=[N+]([O-])c1cc(Br)cnc1Oc1ccccc1OCc1ccccc1.
What is the InChIKey of 5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine?
The InChIKey is GNDQLUJTDBPIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O4/c19-14-10-15(21(22)23)18(20-11-14)25-17-9-5-4-8-16(17)24-12-13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of 5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine?
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine has a molecular weight of 401.22 g/mol, XLogP of 5.12, 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-phenylmethoxyphenoxy)pyridine is sourced from PubChem (CID 166176140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).