2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol

C9H10BrN3O — CID 24705006

IUPAC2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol
SMILESCc1nn(CCO)c2ncc(Br)cc12
InChIInChI=1S/C9H10BrN3O/c1-6-8-4-7(10)5-11-9(8)13(12-6)2-3-14/h4-5,14H,2-3H2,1H3
InChIKeySVVUYMRGHUVUBD-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.49
Rot. Bonds2

About 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol

2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol (PubChem CID 24705006) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol
PubChem CID24705006
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol
SMILESCc1nn(CCO)c2ncc(Br)cc12
InChIInChI=1S/C9H10BrN3O/c1-6-8-4-7(10)5-11-9(8)13(12-6)2-3-14/h4-5,14H,2-3H2,1H3
InChIKeySVVUYMRGHUVUBD-UHFFFAOYSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol (CID 24705006) is 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol is Cc1nn(CCO)c2ncc(Br)cc12.
What is the InChIKey of 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol?
The InChIKey is SVVUYMRGHUVUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-6-8-4-7(10)5-11-9(8)13(12-6)2-3-14/h4-5,14H,2-3H2,1H3.
What are the key properties of 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol?
2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol has a molecular weight of 256.10 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanol is sourced from PubChem (CID 24705006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).