5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid

C11H11N3O2 — CID 62958306

IUPAC5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCCn1cc(-c2ccc(C(=O)O)nc2)cn1
InChIInChI=1S/C11H11N3O2/c1-2-14-7-9(6-13-14)8-3-4-10(11(15)16)12-5-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyBEETYUGFJFJOGP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.66
Rot. Bonds3

About 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid

5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid (PubChem CID 62958306) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
PubChem CID62958306
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCCn1cc(-c2ccc(C(=O)O)nc2)cn1
InChIInChI=1S/C11H11N3O2/c1-2-14-7-9(6-13-14)8-3-4-10(11(15)16)12-5-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyBEETYUGFJFJOGP-UHFFFAOYSA-N
XLogP1.66
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid (CID 62958306) is 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid is CCn1cc(-c2ccc(C(=O)O)nc2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid?
The InChIKey is BEETYUGFJFJOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-14-7-9(6-13-14)8-3-4-10(11(15)16)12-5-8/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid?
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 62958306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).