4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane

C19H14AlBr2Cl3N6O2 — CID 167626573

IUPAC4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane
SMILESCOc1cc(Br)c2c(C#N)cnn2c1C.Cc1c(O)cc(Br)c2c(C#N)cnn12.Cl[Al](Cl)Cl
InChIInChI=1S/C10H8BrN3O.C9H6BrN3O.Al.3ClH/c1-6-9(15-2)3-8(11)10-7(4-12)5-13-14(6)10;1-5-8(14)2-7(10)9-6(3-11)4-12-13(5)9;;;;/h3,5H,1-2H3;2,4,14H,1H3;;3*1H/q;;+3;;;/p-3
InChIKeyNEMWTZBBEKTOJI-UHFFFAOYSA-K
MW651.51 g/mol
LogP5.96
Rot. Bonds1

About 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane

4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane (PubChem CID 167626573) has the molecular formula C19H14AlBr2Cl3N6O2 and a molecular weight of 651.51 g/mol. Its IUPAC name is 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane.

Molecular Properties

Compound Name4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane
PubChem CID167626573
Molecular FormulaC19H14AlBr2Cl3N6O2
Molecular Weight651.51 g/mol
Exact Mass647.84
IUPAC Name4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane
SMILESCOc1cc(Br)c2c(C#N)cnn2c1C.Cc1c(O)cc(Br)c2c(C#N)cnn12.Cl[Al](Cl)Cl
InChIInChI=1S/C10H8BrN3O.C9H6BrN3O.Al.3ClH/c1-6-9(15-2)3-8(11)10-7(4-12)5-13-14(6)10;1-5-8(14)2-7(10)9-6(3-11)4-12-13(5)9;;;;/h3,5H,1-2H3;2,4,14H,1H3;;3*1H/q;;+3;;;/p-3
InChIKeyNEMWTZBBEKTOJI-UHFFFAOYSA-K
XLogP5.96
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane 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-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane?
The IUPAC name of 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane (CID 167626573) is 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane.
What is the SMILES notation for 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane?
The canonical SMILES for 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane is COc1cc(Br)c2c(C#N)cnn2c1C.Cc1c(O)cc(Br)c2c(C#N)cnn12.Cl[Al](Cl)Cl.
What is the InChIKey of 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane?
The InChIKey is NEMWTZBBEKTOJI-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H8BrN3O.C9H6BrN3O.Al.3ClH/c1-6-9(15-2)3-8(11)10-7(4-12)5-13-14(6)10;1-5-8(14)2-7(10)9-6(3-11)4-12-13(5)9;;;;/h3,5H,1-2H3;2,4,14H,1H3;;3*1H/q;;+3;;;/p-3.
What are the key properties of 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane?
4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane has a molecular weight of 651.51 g/mol, XLogP of 5.96, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;trichloroalumane is sourced from PubChem (CID 167626573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).