2-(2-bromo-5-nitrophenoxy)pyridin-4-amine

C11H8BrN3O3 — CID 114053316

IUPAC2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
SMILESNc1ccnc(Oc2cc([N+](=O)[O-])ccc2Br)c1
InChIInChI=1S/C11H8BrN3O3/c12-9-2-1-8(15(16)17)6-10(9)18-11-5-7(13)3-4-14-11/h1-6H,(H2,13,14)
InChIKeySFUWQQUFIQXWER-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.13
Rot. Bonds3

About 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine

2-(2-bromo-5-nitrophenoxy)pyridin-4-amine (PubChem CID 114053316) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
PubChem CID114053316
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
SMILESNc1ccnc(Oc2cc([N+](=O)[O-])ccc2Br)c1
InChIInChI=1S/C11H8BrN3O3/c12-9-2-1-8(15(16)17)6-10(9)18-11-5-7(13)3-4-14-11/h1-6H,(H2,13,14)
InChIKeySFUWQQUFIQXWER-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
CID 103009656
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103011231
3-(2-bromo-5-nitrophenoxy)pyrazine-2-carbonitrile
CID 103010082
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780
2-(2-bromo-5-nitrophenoxy)-4-methylpyridine-3-carbonitrile
CID 103010086
5-(2-bromo-5-nitrophenoxy)pyrazine-2-carboxylic acid
CID 103012898
2-bromo-5-(2-bromo-5-nitrophenoxy)-1,3,4-thiadiazole
CID 103009895
2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103010100
2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine
CID 79251179
4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136805278

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine?
The IUPAC name of 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine (CID 114053316) is 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine?
The canonical SMILES for 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine is Nc1ccnc(Oc2cc([N+](=O)[O-])ccc2Br)c1.
What is the InChIKey of 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine?
The InChIKey is SFUWQQUFIQXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-9-2-1-8(15(16)17)6-10(9)18-11-5-7(13)3-4-14-11/h1-6H,(H2,13,14).
What are the key properties of 2-(2-bromo-5-nitrophenoxy)pyridin-4-amine?
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine 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-(2-bromo-5-nitrophenoxy)pyridin-4-amine is sourced from PubChem (CID 114053316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).