6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol

C8H4BrN3O — CID 164847401

IUPAC6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol
SMILES[C-]#[N+]c1cnn2cc(Br)cc(O)c12
InChIInChI=1S/C8H4BrN3O/c1-10-6-3-11-12-4-5(9)2-7(13)8(6)12/h2-4,13H
InChIKeyFAWQDAZGWCMKOG-UHFFFAOYSA-N
MW238.04 g/mol
LogP2.35
Rot. Bonds

About 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol

6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol (PubChem CID 164847401) has the molecular formula C8H4BrN3O and a molecular weight of 238.04 g/mol. Its IUPAC name is 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol
PubChem CID164847401
Molecular FormulaC8H4BrN3O
Molecular Weight238.04 g/mol
Exact Mass236.95
IUPAC Name6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol
SMILES[C-]#[N+]c1cnn2cc(Br)cc(O)c12
InChIInChI=1S/C8H4BrN3O/c1-10-6-3-11-12-4-5(9)2-7(13)8(6)12/h2-4,13H
InChIKeyFAWQDAZGWCMKOG-UHFFFAOYSA-N
XLogP2.35
TPSA41.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol 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

4-Bromo-6-hydroxypyrazolo(1,5-a)pyridine-3-carbonitrile
CID 124199464
Pyrazolo(1,5-a)pyridin-4-ol
CID 15257896
Pyrazolo[1,5-a]pyridin-3-ol
CID 15257903
3-Bromo-4-methoxypyrazolo(1,5-a)pyridine
CID 132313474
6-Bromo-4-hydroxypyrazolo[1,5-A]pyridine-3-carbonitrile
CID 124199907
5-Bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol
CID 138022568
2-Ethyl-6-fluoro-4-hydroxypyrazolo[1,5-a]pyridine
CID 59389363
6-Bromo-4-(trifluoromethylsulfanyloxy)pyrrolo[1,2-b]pyridazine
CID 132034382
(6-Bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
CID 135193451
6-Bromo-3-fluoropyrazolo[1,5-a]pyridin-4-ol
CID 163301925
5-Fluoropyrazolo[1,5-a]pyridin-3-ol
CID 164558792
6-Bromo-4-fluoropyrazolo[1,5-a]pyridin-3-ol
CID 164559163

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol (CID 164847401) is 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol.
What is the SMILES notation for 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol is [C-]#[N+]c1cnn2cc(Br)cc(O)c12.
What is the InChIKey of 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is FAWQDAZGWCMKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3O/c1-10-6-3-11-12-4-5(9)2-7(13)8(6)12/h2-4,13H.
What are the key properties of 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol?
6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol has a molecular weight of 238.04 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-isocyanopyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 164847401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).