2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine

C9H9BrN4O — CID 175957377

IUPAC2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine
SMILESBrc1cnc2c(cnn2C2NCCO2)c1
InChIInChI=1S/C9H9BrN4O/c10-7-3-6-4-13-14(8(6)12-5-7)9-11-1-2-15-9/h3-5,9,11H,1-2H2
InChIKeyOJZJERLDQPFLNP-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.27
Rot. Bonds1

About 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine

2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine (PubChem CID 175957377) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine
PubChem CID175957377
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine
SMILESBrc1cnc2c(cnn2C2NCCO2)c1
InChIInChI=1S/C9H9BrN4O/c10-7-3-6-4-13-14(8(6)12-5-7)9-11-1-2-15-9/h3-5,9,11H,1-2H2
InChIKeyOJZJERLDQPFLNP-UHFFFAOYSA-N
XLogP1.27
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine?
The IUPAC name of 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine (CID 175957377) is 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine is Brc1cnc2c(cnn2C2NCCO2)c1.
What is the InChIKey of 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine?
The InChIKey is OJZJERLDQPFLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c10-7-3-6-4-13-14(8(6)12-5-7)9-11-1-2-15-9/h3-5,9,11H,1-2H2.
What are the key properties of 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine?
2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine has a molecular weight of 269.10 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-1,3-oxazolidine is sourced from PubChem (CID 175957377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).