2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline

C11H8BrN3O3 — CID 103519719

IUPAC2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline
SMILESNc1ccccc1Oc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C11H8BrN3O3/c12-7-5-14-6-9(15(16)17)11(7)18-10-4-2-1-3-8(10)13/h1-6H,13H2
InChIKeyHBQUERIFNHWZNW-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.13
Rot. Bonds3

About 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline

2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline (PubChem CID 103519719) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline
PubChem CID103519719
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline
SMILESNc1ccccc1Oc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C11H8BrN3O3/c12-7-5-14-6-9(15(16)17)11(7)18-10-4-2-1-3-8(10)13/h1-6H,13H2
InChIKeyHBQUERIFNHWZNW-UHFFFAOYSA-N
XLogP3.13
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(3-bromo-5-nitro-4-pyridinyl)oxy]benzoic acid
CID 103519765
2-(5-bromo-4-fluoro-2-nitrophenoxy)aniline
CID 116739616
4-(2-bromophenoxy)-3-nitroquinoline
CID 103963836
2-[4-[(3-bromo-5-nitro-4-pyridinyl)oxy]phenyl]acetic acid
CID 104629629
5-bromo-4-naphthalen-1-yloxypyridin-3-amine
CID 103518682
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
4-bromo-5-nitropyridin-3-amine
CID 130705399
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
5-(2-nitrophenoxy)pyridin-3-amine
CID 104536596
1-[(3-bromo-5-nitro-4-pyridinyl)oxy]-2-methylbutan-2-amine
CID 103519820
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
CID 113333873

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline?
The IUPAC name of 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline (CID 103519719) is 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline.
What is the SMILES notation for 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline?
The canonical SMILES for 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline is Nc1ccccc1Oc1c(Br)cncc1[N+](=O)[O-].
What is the InChIKey of 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline?
The InChIKey is HBQUERIFNHWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-7-5-14-6-9(15(16)17)11(7)18-10-4-2-1-3-8(10)13/h1-6H,13H2.
What are the key properties of 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline?
2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline has a molecular weight of 310.11 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-nitro-4-pyridinyl)oxy]aniline is sourced from PubChem (CID 103519719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).