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

C11H10ClN3O2 — CID 62129845

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESCc1nn(-c2ccnc(C(=O)O)c2)c(C)c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-6-10(12)7(2)15(14-6)8-3-4-13-9(5-8)11(16)17/h3-5H,1-2H3,(H,16,17)
InChIKeyAKLXTKIXWLZSLQ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.24
Rot. Bonds2

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 62129845) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
PubChem CID62129845
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESCc1nn(-c2ccnc(C(=O)O)c2)c(C)c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-6-10(12)7(2)15(14-6)8-3-4-13-9(5-8)11(16)17/h3-5H,1-2H3,(H,16,17)
InChIKeyAKLXTKIXWLZSLQ-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid (CID 62129845) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid is Cc1nn(-c2ccnc(C(=O)O)c2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is AKLXTKIXWLZSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-10(12)7(2)15(14-6)8-3-4-13-9(5-8)11(16)17/h3-5H,1-2H3,(H,16,17).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 62129845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).