5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid

C7H4BrN3O2 — CID 121418053

IUPAC5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid
SMILESO=C(O)n1ncc2cc(Br)ncc21
InChIInChI=1S/C7H4BrN3O2/c8-6-1-4-2-10-11(7(12)13)5(4)3-9-6/h1-3H,(H,12,13)
InChIKeyRJZBBSOJDYIUHR-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.72
Rot. Bonds

About 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid

5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid (PubChem CID 121418053) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid
PubChem CID121418053
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid
SMILESO=C(O)n1ncc2cc(Br)ncc21
InChIInChI=1S/C7H4BrN3O2/c8-6-1-4-2-10-11(7(12)13)5(4)3-9-6/h1-3H,(H,12,13)
InChIKeyRJZBBSOJDYIUHR-UHFFFAOYSA-N
XLogP1.72
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.72
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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Related Compounds

3-Bromo-1H-pyrazolo(3,4-c)pyridine
CID 12668493
5-bromo-3-methyl-1H-pyrazolo[3,4-c]pyridine
CID 25222947
6-Bromo-1-methyl-1H-pyrazolo(4,3-b)pyridine
CID 40152261
5-Bromo-1H-pyrazolo[3,4-c]pyridine
CID 45789778
4-Bromo-1H-Pyrazolo[3,4-C]Pyridine
CID 46916247
4-Bromo-1-methyl-1H-pyrazolo(3,4-c)pyridine
CID 57606936
3-bromo-1-methyl-1H-pyrazolo(3,4-c)pyridine
CID 66760539
7-Bromo-1H-pyrazolo(3,4-c)pyridine
CID 70700903
5-Bromo-3-iodo-1H-pyrazolo[3,4-C]pyridine
CID 71743113
6-bromo-2-methyl-2H-pyrazolo[4,3-b]pyridine
CID 91757592
7-Bromo-1-methyl-pyrazolo[4,3-b]pyridine
CID 130120827
5-bromo-2,7-dimethyl-2H-pyrazolo(3,4-c)pyridine
CID 139026808

Frequently Asked Questions

What is the IUPAC name of 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid?
The IUPAC name of 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid (CID 121418053) is 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid?
The canonical SMILES for 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid is O=C(O)n1ncc2cc(Br)ncc21.
What is the InChIKey of 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid?
The InChIKey is RJZBBSOJDYIUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-6-1-4-2-10-11(7(12)13)5(4)3-9-6/h1-3H,(H,12,13).
What are the key properties of 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid?
5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid has a molecular weight of 242.03 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrazolo[3,4-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 121418053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).