5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid

C11H10BrN3O2 — CID 115491057

IUPAC5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESCc1nn(-c2ccc(C(=O)O)nc2)c(C)c1Br
InChIInChI=1S/C11H10BrN3O2/c1-6-10(12)7(2)15(14-6)8-3-4-9(11(16)17)13-5-8/h3-5H,1-2H3,(H,16,17)
InChIKeyOYOZVMAXRJWQMS-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.34
Rot. Bonds2

About 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid

5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 115491057) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
PubChem CID115491057
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESCc1nn(-c2ccc(C(=O)O)nc2)c(C)c1Br
InChIInChI=1S/C11H10BrN3O2/c1-6-10(12)7(2)15(14-6)8-3-4-9(11(16)17)13-5-8/h3-5H,1-2H3,(H,16,17)
InChIKeyOYOZVMAXRJWQMS-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid (CID 115491057) is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid is Cc1nn(-c2ccc(C(=O)O)nc2)c(C)c1Br.
What is the InChIKey of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is OYOZVMAXRJWQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-6-10(12)7(2)15(14-6)8-3-4-9(11(16)17)13-5-8/h3-5H,1-2H3,(H,16,17).
What are the key properties of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid?
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 296.12 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115491057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).