4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile

C13H14BrN3O2 — CID 155296165

IUPAC4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(OCC(C)(C)O)cc(Br)c2c(C#N)cnn12
InChIInChI=1S/C13H14BrN3O2/c1-8-11(19-7-13(2,3)18)4-10(14)12-9(5-15)6-16-17(8)12/h4,6,18H,7H2,1-3H3
InChIKeyCZQZBMWIBUYVOV-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.43
Rot. Bonds3

About 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296165) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155296165
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(OCC(C)(C)O)cc(Br)c2c(C#N)cnn12
InChIInChI=1S/C13H14BrN3O2/c1-8-11(19-7-13(2,3)18)4-10(14)12-9(5-15)6-16-17(8)12/h4,6,18H,7H2,1-3H3
InChIKeyCZQZBMWIBUYVOV-UHFFFAOYSA-N
XLogP2.43
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296165) is 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(OCC(C)(C)O)cc(Br)c2c(C#N)cnn12.
What is the InChIKey of 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CZQZBMWIBUYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-11(19-7-13(2,3)18)4-10(14)12-9(5-15)6-16-17(8)12/h4,6,18H,7H2,1-3H3.
What are the key properties of 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 324.18 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).