5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

C12H9BrN4O — CID 162691620

IUPAC5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2[nH]nc3ncc(Br)cc23)cn1
InChIInChI=1S/C12H9BrN4O/c1-18-10-3-2-7(5-14-10)11-9-4-8(13)6-15-12(9)17-16-11/h2-6H,1H3,(H,15,16,17)
InChIKeyCNLCKWSFOILSKC-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.79
Rot. Bonds2

About 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162691620) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID162691620
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2[nH]nc3ncc(Br)cc23)cn1
InChIInChI=1S/C12H9BrN4O/c1-18-10-3-2-7(5-14-10)11-9-4-8(13)6-15-12(9)17-16-11/h2-6H,1H3,(H,15,16,17)
InChIKeyCNLCKWSFOILSKC-UHFFFAOYSA-N
XLogP2.79
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 162691620) is 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is COc1ccc(-c2[nH]nc3ncc(Br)cc23)cn1.
What is the InChIKey of 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is CNLCKWSFOILSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c1-18-10-3-2-7(5-14-10)11-9-4-8(13)6-15-12(9)17-16-11/h2-6H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 305.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162691620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).