1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

C12H12BrN3 — CID 84647553

IUPAC1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESBrc1ccccc1-n1ncc2c1CCCN2
InChIInChI=1S/C12H12BrN3/c13-9-4-1-2-5-11(9)16-12-6-3-7-14-10(12)8-15-16/h1-2,4-5,8,14H,3,6-7H2
InChIKeyQBSNYTLXNSVCGA-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.99
Rot. Bonds1

About 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 84647553) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID84647553
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESBrc1ccccc1-n1ncc2c1CCCN2
InChIInChI=1S/C12H12BrN3/c13-9-4-1-2-5-11(9)16-12-6-3-7-14-10(12)8-15-16/h1-2,4-5,8,14H,3,6-7H2
InChIKeyQBSNYTLXNSVCGA-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 84647553) is 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is Brc1ccccc1-n1ncc2c1CCCN2.
What is the InChIKey of 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is QBSNYTLXNSVCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-9-4-1-2-5-11(9)16-12-6-3-7-14-10(12)8-15-16/h1-2,4-5,8,14H,3,6-7H2.
What are the key properties of 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 278.15 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 84647553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).