5-bromo-1-methylpyrazolo[3,4-b]pyridine

C7H6BrN3 — CID 57415889

IUPAC5-bromo-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2cc(Br)cnc21
InChIInChI=1S/C7H6BrN3/c1-11-7-5(3-10-11)2-6(8)4-9-7/h2-4H,1H3
InChIKeyMZTKBGMGLWHOMN-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.73
Rot. Bonds

About 5-bromo-1-methylpyrazolo[3,4-b]pyridine

5-bromo-1-methylpyrazolo[3,4-b]pyridine (PubChem CID 57415889) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 5-bromo-1-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-methylpyrazolo[3,4-b]pyridine
PubChem CID57415889
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name5-bromo-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2cc(Br)cnc21
InChIInChI=1S/C7H6BrN3/c1-11-7-5(3-10-11)2-6(8)4-9-7/h2-4H,1H3
InChIKeyMZTKBGMGLWHOMN-UHFFFAOYSA-N
XLogP1.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Bromo-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705477
6-Bromo-2-(4-bromophenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium
CID 1117930
4-(5-bromo-3-pyridyl)-1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 11667299
AhR agonist 2
CID 163196386
6-Bromo-2-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168290165
3-Bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3638695
3-Amino-5-bromo-1H-pyrazolo[3,4-b]pyridine
CID 9834334
6-bromo-7,8-dimethyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704707
4-[(1E)-{2-[1-(3-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91050334
3-Bromo-2-methyl-7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 3701383
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10403564
3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10471927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-1-methylpyrazolo[3,4-b]pyridine (CID 57415889) is 5-bromo-1-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-1-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-1-methylpyrazolo[3,4-b]pyridine is Cn1ncc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-methylpyrazolo[3,4-b]pyridine?
The InChIKey is MZTKBGMGLWHOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-11-7-5(3-10-11)2-6(8)4-9-7/h2-4H,1H3.
What are the key properties of 5-bromo-1-methylpyrazolo[3,4-b]pyridine?
5-bromo-1-methylpyrazolo[3,4-b]pyridine has a molecular weight of 212.05 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 57415889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).