5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine

C13H10BrN3 — CID 115052473

IUPAC5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine
SMILESCc1ccccc1-n1ncc2cc(Br)cnc21
InChIInChI=1S/C13H10BrN3/c1-9-4-2-3-5-12(9)17-13-10(7-16-17)6-11(14)8-15-13/h2-8H,1H3
InChIKeyQGJGORZWEGPTPV-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.49
Rot. Bonds1

About 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine

5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine (PubChem CID 115052473) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine
PubChem CID115052473
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine
SMILESCc1ccccc1-n1ncc2cc(Br)cnc21
InChIInChI=1S/C13H10BrN3/c1-9-4-2-3-5-12(9)17-13-10(7-16-17)6-11(14)8-15-13/h2-8H,1H3
InChIKeyQGJGORZWEGPTPV-UHFFFAOYSA-N
XLogP3.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 115040094
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
3-bromo-5-methyl-1-(2-methylphenyl)pyrazole
CID 59022551
2-[5-bromo-1-(2-methylphenyl)pyrazol-4-yl]-N-methylethanamine
CID 115053247
1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 17017469
5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine
CID 119087258
5-bromo-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 53410205
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595
1-(2-bromophenyl)-4,5-dimethylpyrazole
CID 21033983
[2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)phenyl]methanol
CID 155930864
6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79306425
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine (CID 115052473) is 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine is Cc1ccccc1-n1ncc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine?
The InChIKey is QGJGORZWEGPTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-4-2-3-5-12(9)17-13-10(7-16-17)6-11(14)8-15-13/h2-8H,1H3.
What are the key properties of 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine?
5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine has a molecular weight of 288.15 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 115052473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).