6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid

C11H14N2O2 — CID 81233197

IUPAC6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C11H14N2O2/c1-8-6-10(13-4-2-3-5-13)9(7-12-8)11(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyALXQFIJOUWSTOB-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.69
Rot. Bonds2

About 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid

6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 81233197) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID81233197
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C11H14N2O2/c1-8-6-10(13-4-2-3-5-13)9(7-12-8)11(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyALXQFIJOUWSTOB-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 81233197) is 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid is Cc1cc(N2CCCC2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is ALXQFIJOUWSTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-6-10(13-4-2-3-5-13)9(7-12-8)11(14)15/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid?
6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).