5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid

C7H4BrN3O2 — CID 131538217

IUPAC5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(Br)nc2cn[nH]c12
InChIInChI=1S/C7H4BrN3O2/c8-5-1-3(7(12)13)6-4(10-5)2-9-11-6/h1-2H,(H,9,11)(H,12,13)
InChIKeyGKSLHWWZVCFDKA-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.42
Rot. Bonds1

About 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid

5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 131538217) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid
PubChem CID131538217
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(Br)nc2cn[nH]c12
InChIInChI=1S/C7H4BrN3O2/c8-5-1-3(7(12)13)6-4(10-5)2-9-11-6/h1-2H,(H,9,11)(H,12,13)
InChIKeyGKSLHWWZVCFDKA-UHFFFAOYSA-N
XLogP1.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1H-indazole-7-carboxylic acid
CID 76846417
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190
2-bromo-7-fluoroquinoline-4-carboxylic acid
CID 82184189
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
1H-pyrazole-4,5-dicarboxylic acid
CID 3998064
5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid
CID 168602987
3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130099066
6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668537
5-hydroxy-1H-indazole-6-carboxylic acid
CID 76846394
6-hydroxy-1H-indazole-5-carboxylic acid
CID 135742459
2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid
CID 23342248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid (CID 131538217) is 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1cc(Br)nc2cn[nH]c12.
What is the InChIKey of 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is GKSLHWWZVCFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-5-1-3(7(12)13)6-4(10-5)2-9-11-6/h1-2H,(H,9,11)(H,12,13).
What are the key properties of 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid?
5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 242.03 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 131538217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).