4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C12H12BrN3S — CID 155301187

IUPAC4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)CSc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C12H12BrN3S/c1-8(2)7-17-10-3-11(13)12-9(4-14)5-15-16(12)6-10/h3,5-6,8H,7H2,1-2H3
InChIKeyVMZBXTYYFMHWEV-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.72
Rot. Bonds3

About 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155301187) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155301187
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC Name4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)CSc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C12H12BrN3S/c1-8(2)7-17-10-3-11(13)12-9(4-14)5-15-16(12)6-10/h3,5-6,8H,7H2,1-2H3
InChIKeyVMZBXTYYFMHWEV-UHFFFAOYSA-N
XLogP3.72
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155301187) is 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)CSc1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VMZBXTYYFMHWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3S/c1-8(2)7-17-10-3-11(13)12-9(4-14)5-15-16(12)6-10/h3,5-6,8H,7H2,1-2H3.
What are the key properties of 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 310.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155301187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).