4-bromo-2-nitropyridin-3-ol

C5H3BrN2O3 — CID 18414212

IUPAC4-bromo-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nccc(Br)c1O
InChIInChI=1S/C5H3BrN2O3/c6-3-1-2-7-5(4(3)9)8(10)11/h1-2,9H
InChIKeyRWQSFGYTNNNPCN-UHFFFAOYSA-N
MW218.99 g/mol
LogP1.46
Rot. Bonds1

About 4-bromo-2-nitropyridin-3-ol

4-bromo-2-nitropyridin-3-ol (PubChem CID 18414212) has the molecular formula C5H3BrN2O3 and a molecular weight of 218.99 g/mol. Its IUPAC name is 4-bromo-2-nitropyridin-3-ol.

Molecular Properties

Compound Name4-bromo-2-nitropyridin-3-ol
PubChem CID18414212
Molecular FormulaC5H3BrN2O3
Molecular Weight218.99 g/mol
Exact Mass217.93
IUPAC Name4-bromo-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nccc(Br)c1O
InChIInChI=1S/C5H3BrN2O3/c6-3-1-2-7-5(4(3)9)8(10)11/h1-2,9H
InChIKeyRWQSFGYTNNNPCN-UHFFFAOYSA-N
XLogP1.46
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.99
LogP ≤ 51.46
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-2-nitropyridin-3-ol 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-2-nitropyridin-3-ol?
The IUPAC name of 4-bromo-2-nitropyridin-3-ol (CID 18414212) is 4-bromo-2-nitropyridin-3-ol.
What is the SMILES notation for 4-bromo-2-nitropyridin-3-ol?
The canonical SMILES for 4-bromo-2-nitropyridin-3-ol is O=[N+]([O-])c1nccc(Br)c1O.
What is the InChIKey of 4-bromo-2-nitropyridin-3-ol?
The InChIKey is RWQSFGYTNNNPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2O3/c6-3-1-2-7-5(4(3)9)8(10)11/h1-2,9H.
What are the key properties of 4-bromo-2-nitropyridin-3-ol?
4-bromo-2-nitropyridin-3-ol has a molecular weight of 218.99 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-nitropyridin-3-ol is sourced from PubChem (CID 18414212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).