4-bromo-5-nitropyridin-2-amine

C5H4BrN3O2 — CID 13040393

IUPAC4-bromo-5-nitropyridin-2-amine
SMILESNc1cc(Br)c([N+](=O)[O-])cn1
InChIInChI=1S/C5H4BrN3O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H,(H2,7,8)
InChIKeySRZJCTZTDMZTOF-UHFFFAOYSA-N
MW218.01 g/mol
LogP1.33
Rot. Bonds1

About 4-bromo-5-nitropyridin-2-amine

4-bromo-5-nitropyridin-2-amine (PubChem CID 13040393) has the molecular formula C5H4BrN3O2 and a molecular weight of 218.01 g/mol. Its IUPAC name is 4-bromo-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-bromo-5-nitropyridin-2-amine
PubChem CID13040393
Molecular FormulaC5H4BrN3O2
Molecular Weight218.01 g/mol
Exact Mass216.95
IUPAC Name4-bromo-5-nitropyridin-2-amine
SMILESNc1cc(Br)c([N+](=O)[O-])cn1
InChIInChI=1S/C5H4BrN3O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H,(H2,7,8)
InChIKeySRZJCTZTDMZTOF-UHFFFAOYSA-N
XLogP1.33
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 51.33
H-Bond Donors ≤ 51
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'}

Analyze 4-bromo-5-nitropyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-nitropyridin-2-amine?
The IUPAC name of 4-bromo-5-nitropyridin-2-amine (CID 13040393) is 4-bromo-5-nitropyridin-2-amine.
What is the SMILES notation for 4-bromo-5-nitropyridin-2-amine?
The canonical SMILES for 4-bromo-5-nitropyridin-2-amine is Nc1cc(Br)c([N+](=O)[O-])cn1.
What is the InChIKey of 4-bromo-5-nitropyridin-2-amine?
The InChIKey is SRZJCTZTDMZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H,(H2,7,8).
What are the key properties of 4-bromo-5-nitropyridin-2-amine?
4-bromo-5-nitropyridin-2-amine has a molecular weight of 218.01 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-nitropyridin-2-amine is sourced from PubChem (CID 13040393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).