5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine

C9H10BrN3O — CID 119087258

IUPAC5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine
SMILESCOCCn1ncc2cc(Br)cnc21
InChIInChI=1S/C9H10BrN3O/c1-14-3-2-13-9-7(5-12-13)4-8(10)6-11-9/h4-6H,2-3H2,1H3
InChIKeyNWZJTAULIPOCHX-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.84
Rot. Bonds3

About 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine

5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine (PubChem CID 119087258) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine
PubChem CID119087258
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine
SMILESCOCCn1ncc2cc(Br)cnc21
InChIInChI=1S/C9H10BrN3O/c1-14-3-2-13-9-7(5-12-13)4-8(10)6-11-9/h4-6H,2-3H2,1H3
InChIKeyNWZJTAULIPOCHX-UHFFFAOYSA-N
XLogP1.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-5-chloro-1-(2-methoxyethyl)indazole
CID 118277723
6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
5-ethyl-1-(2-methoxyethyl)indazole
CID 71211159
1-(2-methoxyethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
CID 166104701
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
5-bromo-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine
CID 115052473
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
CID 114663770
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977808
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine
CID 114647389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine (CID 119087258) is 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine is COCCn1ncc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is NWZJTAULIPOCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-14-3-2-13-9-7(5-12-13)4-8(10)6-11-9/h4-6H,2-3H2,1H3.
What are the key properties of 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine?
5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 256.10 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-methoxyethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 119087258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).