1-bromopyrazolo[4,5-b]pyridine

C6H4BrN3 — CID 141268419

IUPAC1-bromopyrazolo[4,5-b]pyridine
SMILESBrn1ncc2ncccc21
InChIInChI=1S/C6H4BrN3/c7-10-6-2-1-3-8-5(6)4-9-10/h1-4H
InChIKeyGMXICVYVYQSJNQ-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.59
Rot. Bonds

About 1-bromopyrazolo[4,5-b]pyridine

1-bromopyrazolo[4,5-b]pyridine (PubChem CID 141268419) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 1-bromopyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-bromopyrazolo[4,5-b]pyridine
PubChem CID141268419
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name1-bromopyrazolo[4,5-b]pyridine
SMILESBrn1ncc2ncccc21
InChIInChI=1S/C6H4BrN3/c7-10-6-2-1-3-8-5(6)4-9-10/h1-4H
InChIKeyGMXICVYVYQSJNQ-UHFFFAOYSA-N
XLogP1.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethylpyrazolo[4,5-b]pyridine
CID 164593450
1-methylsulfonylpyrazolo[4,5-b]pyridine
CID 164925162
1-iodopyrrolo[3,2-b]pyridine
CID 70894838
1-[(2,4-dichlorophenyl)methyl]pyrazolo[4,5-b]pyridine
CID 142719630
iridium(3+);1,5-naphthyridine
CID 175728214
tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate
CID 70817224
1-hydroxypyrrolo[3,2-b]pyridine
CID 22988006
pyrrolo[3,2-b]pyridin-1-amine
CID 19601545
1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
CID 139615824
1-propan-2-yl-1,5-naphthyridin-2-one
CID 139602380
1,5-naphthyridine-3-carbaldehyde;hydrochloride
CID 174817233
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
CID 67260198

Frequently Asked Questions

What is the IUPAC name of 1-bromopyrazolo[4,5-b]pyridine?
The IUPAC name of 1-bromopyrazolo[4,5-b]pyridine (CID 141268419) is 1-bromopyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-bromopyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-bromopyrazolo[4,5-b]pyridine is Brn1ncc2ncccc21.
What is the InChIKey of 1-bromopyrazolo[4,5-b]pyridine?
The InChIKey is GMXICVYVYQSJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-10-6-2-1-3-8-5(6)4-9-10/h1-4H.
What are the key properties of 1-bromopyrazolo[4,5-b]pyridine?
1-bromopyrazolo[4,5-b]pyridine has a molecular weight of 198.02 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopyrazolo[4,5-b]pyridine is sourced from PubChem (CID 141268419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).