4-amino-2-bromopyridin-3-ol

C5H5BrN2O — CID 86762217

IUPAC4-amino-2-bromopyridin-3-ol
SMILESNc1ccnc(Br)c1O
InChIInChI=1S/C5H5BrN2O/c6-5-4(9)3(7)1-2-8-5/h1-2,9H,(H2,7,8)
InChIKeyHPQFFWLPUAAAGR-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.13
Rot. Bonds

About 4-amino-2-bromopyridin-3-ol

4-amino-2-bromopyridin-3-ol (PubChem CID 86762217) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 4-amino-2-bromopyridin-3-ol.

Molecular Properties

Compound Name4-amino-2-bromopyridin-3-ol
PubChem CID86762217
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name4-amino-2-bromopyridin-3-ol
SMILESNc1ccnc(Br)c1O
InChIInChI=1S/C5H5BrN2O/c6-5-4(9)3(7)1-2-8-5/h1-2,9H,(H2,7,8)
InChIKeyHPQFFWLPUAAAGR-UHFFFAOYSA-N
XLogP1.13
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromopyridin-3-ol?
The IUPAC name of 4-amino-2-bromopyridin-3-ol (CID 86762217) is 4-amino-2-bromopyridin-3-ol.
What is the SMILES notation for 4-amino-2-bromopyridin-3-ol?
The canonical SMILES for 4-amino-2-bromopyridin-3-ol is Nc1ccnc(Br)c1O.
What is the InChIKey of 4-amino-2-bromopyridin-3-ol?
The InChIKey is HPQFFWLPUAAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c6-5-4(9)3(7)1-2-8-5/h1-2,9H,(H2,7,8).
What are the key properties of 4-amino-2-bromopyridin-3-ol?
4-amino-2-bromopyridin-3-ol has a molecular weight of 189.01 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromopyridin-3-ol is sourced from PubChem (CID 86762217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).