5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

C10H6BrN5 — CID 156702157

IUPAC5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2n[nH]c(-c3cncnc3)c2c1
InChIInChI=1S/C10H6BrN5/c11-7-1-8-9(6-2-12-5-13-3-6)15-16-10(8)14-4-7/h1-5H,(H,14,15,16)
InChIKeyIWKXRJPFGFPNMH-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.18
Rot. Bonds1

About 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 156702157) has the molecular formula C10H6BrN5 and a molecular weight of 276.10 g/mol. Its IUPAC name is 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID156702157
Molecular FormulaC10H6BrN5
Molecular Weight276.10 g/mol
Exact Mass274.98
IUPAC Name5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2n[nH]c(-c3cncnc3)c2c1
InChIInChI=1S/C10H6BrN5/c11-7-1-8-9(6-2-12-5-13-3-6)15-16-10(8)14-4-7/h1-5H,(H,14,15,16)
InChIKeyIWKXRJPFGFPNMH-UHFFFAOYSA-N
XLogP2.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 156702157) is 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is Brc1cnc2n[nH]c(-c3cncnc3)c2c1.
What is the InChIKey of 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is IWKXRJPFGFPNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5/c11-7-1-8-9(6-2-12-5-13-3-6)15-16-10(8)14-4-7/h1-5H,(H,14,15,16).
What are the key properties of 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 276.10 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 156702157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).