4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol

C13H10BrN3O — CID 117132869

IUPAC4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc3cccc(Br)n3n2)cc1
InChIInChI=1S/C13H10BrN3O/c14-11-2-1-3-13-15-12(16-17(11)13)8-9-4-6-10(18)7-5-9/h1-7,18H,8H2
InChIKeyHDTPMXKABCDHDV-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.79
Rot. Bonds2

About 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol

4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol (PubChem CID 117132869) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
PubChem CID117132869
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc3cccc(Br)n3n2)cc1
InChIInChI=1S/C13H10BrN3O/c14-11-2-1-3-13-15-12(16-17(11)13)8-9-4-6-10(18)7-5-9/h1-7,18H,8H2
InChIKeyHDTPMXKABCDHDV-UHFFFAOYSA-N
XLogP2.79
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol 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-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol?
The IUPAC name of 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol (CID 117132869) is 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol?
The canonical SMILES for 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol is Oc1ccc(Cc2nc3cccc(Br)n3n2)cc1.
What is the InChIKey of 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol?
The InChIKey is HDTPMXKABCDHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-11-2-1-3-13-15-12(16-17(11)13)8-9-4-6-10(18)7-5-9/h1-7,18H,8H2.
What are the key properties of 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol?
4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol has a molecular weight of 304.15 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol is sourced from PubChem (CID 117132869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).