4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C9H6BrN3O — CID 86346373

IUPAC4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C9H6BrN3O/c1-14-7-2-8(10)9-6(3-11)4-12-13(9)5-7/h2,4-5H,1H3
InChIKeyHOPPUGGCEFYNMX-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.98
Rot. Bonds1

About 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 86346373) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID86346373
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C9H6BrN3O/c1-14-7-2-8(10)9-6(3-11)4-12-13(9)5-7/h2,4-5H,1H3
InChIKeyHOPPUGGCEFYNMX-UHFFFAOYSA-N
XLogP1.98
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile 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-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 86346373) is 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HOPPUGGCEFYNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c1-14-7-2-8(10)9-6(3-11)4-12-13(9)5-7/h2,4-5H,1H3.
What are the key properties of 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 252.07 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 86346373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).