1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid

C12H7BrN4O2 — CID 123770956

IUPAC1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1cnn2-c1ccnc(Br)c1
InChIInChI=1S/C12H7BrN4O2/c13-11-3-7(1-2-15-11)17-10-6-14-4-9(12(18)19)8(10)5-16-17/h1-6H,(H,18,19)
InChIKeyROVPFPWENQXLMG-UHFFFAOYSA-N
MW319.12 g/mol
LogP2.28
Rot. Bonds2

About 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid

1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid (PubChem CID 123770956) has the molecular formula C12H7BrN4O2 and a molecular weight of 319.12 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
PubChem CID123770956
Molecular FormulaC12H7BrN4O2
Molecular Weight319.12 g/mol
Exact Mass317.98
IUPAC Name1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1cnn2-c1ccnc(Br)c1
InChIInChI=1S/C12H7BrN4O2/c13-11-3-7(1-2-15-11)17-10-6-14-4-9(12(18)19)8(10)5-16-17/h1-6H,(H,18,19)
InChIKeyROVPFPWENQXLMG-UHFFFAOYSA-N
XLogP2.28
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Bromopyrazolo(1,5-a)pyridine-5-carboxylic acid
CID 45789676
1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid
CID 72207431
5-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 82404805
1-methyl-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 83679756
[1,2,3]Triazolo[1,5-a]pyridine-4-carboxylic acid
CID 83815776
3-Bromopyrazolo[1,5-a]pyridine-4-carboxylic acid
CID 83824877
3-Bromopyrazolo(1,5-a)pyridine-6-carboxylic acid
CID 83824878
3-bromo-1H-pyrazolo(4,3-b)pyridine-6-carboxylic acid
CID 84728212
1-methyl-1H-pyrazolo[3,4-c]pyridine-7-carboxylic acid
CID 82410627
2-methyl-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 135394737
4-Methylpyrazolo(1,5-a)pyrazine-3-carboxylic acid
CID 154734263
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid
CID 59278137

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The IUPAC name of 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid (CID 123770956) is 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid is O=C(O)c1cncc2c1cnn2-c1ccnc(Br)c1.
What is the InChIKey of 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
The InChIKey is ROVPFPWENQXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4O2/c13-11-3-7(1-2-15-11)17-10-6-14-4-9(12(18)19)8(10)5-16-17/h1-6H,(H,18,19).
What are the key properties of 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid?
1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid has a molecular weight of 319.12 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 123770956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).