2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C8H11BrN2 — CID 83821484

IUPAC2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCc1c(Br)nn2c1CCCC2
InChIInChI=1S/C8H11BrN2/c1-6-7-4-2-3-5-11(7)10-8(6)9/h2-5H2,1H3
InChIKeyIBMQUOJKHDIUEN-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.29
Rot. Bonds

About 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 83821484) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID83821484
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCc1c(Br)nn2c1CCCC2
InChIInChI=1S/C8H11BrN2/c1-6-7-4-2-3-5-11(7)10-8(6)9/h2-5H2,1H3
InChIKeyIBMQUOJKHDIUEN-UHFFFAOYSA-N
XLogP2.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 83821484) is 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Cc1c(Br)nn2c1CCCC2.
What is the InChIKey of 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is IBMQUOJKHDIUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-6-7-4-2-3-5-11(7)10-8(6)9/h2-5H2,1H3.
What are the key properties of 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 215.09 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 83821484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).