6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid

C12H16N2O2 — CID 60974707

IUPAC6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1CCCN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O2/c1-2-10-4-3-7-14(10)11-6-5-9(8-13-11)12(15)16/h5-6,8,10H,2-4,7H2,1H3,(H,15,16)
InChIKeyWEPAYFWKSVYUQE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds3

About 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid

6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 60974707) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID60974707
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1CCCN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O2/c1-2-10-4-3-7-14(10)11-6-5-9(8-13-11)12(15)16/h5-6,8,10H,2-4,7H2,1H3,(H,15,16)
InChIKeyWEPAYFWKSVYUQE-UHFFFAOYSA-N
XLogP2.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994
6-(2-ethylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161624
N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133377027
6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 116637062
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62331437
5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine
CID 70906639

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 60974707) is 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid is CCC1CCCN1c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is WEPAYFWKSVYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-10-4-3-7-14(10)11-6-5-9(8-13-11)12(15)16/h5-6,8,10H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 60974707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).