6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C10H10BrN3O2 — CID 90424990

IUPAC6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)n1cc2c(C(=O)O)cc(Br)nc2n1
InChIInChI=1S/C10H10BrN3O2/c1-5(2)14-4-7-6(10(15)16)3-8(11)12-9(7)13-14/h3-5H,1-2H3,(H,15,16)
InChIKeyWADRIVPPZBIOIM-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.47
Rot. Bonds2

About 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 90424990) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID90424990
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)n1cc2c(C(=O)O)cc(Br)nc2n1
InChIInChI=1S/C10H10BrN3O2/c1-5(2)14-4-7-6(10(15)16)3-8(11)12-9(7)13-14/h3-5H,1-2H3,(H,15,16)
InChIKeyWADRIVPPZBIOIM-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 90424990) is 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is CC(C)n1cc2c(C(=O)O)cc(Br)nc2n1.
What is the InChIKey of 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is WADRIVPPZBIOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-5(2)14-4-7-6(10(15)16)3-8(11)12-9(7)13-14/h3-5H,1-2H3,(H,15,16).
What are the key properties of 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 284.11 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 90424990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).