6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid

C12H16N2O2 — CID 2737255

IUPAC6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C12H16N2O2/c15-12(16)10-3-4-11(13-9-10)5-8-14-6-1-2-7-14/h3-4,9H,1-2,5-8H2,(H,15,16)
InChIKeyJNYWIOXOYFVKQG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.42
Rot. Bonds4

About 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid

6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid (PubChem CID 2737255) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
PubChem CID2737255
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C12H16N2O2/c15-12(16)10-3-4-11(13-9-10)5-8-14-6-1-2-7-14/h3-4,9H,1-2,5-8H2,(H,15,16)
InChIKeyJNYWIOXOYFVKQG-UHFFFAOYSA-N
XLogP1.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nicotinic Acid
CID 938
2,5-Pyridinedicarboxylic acid
CID 7493
Quinoline-3-carboxylic acid
CID 80971
3-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71558
2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
2,5-Dimethyl-1-[(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736289
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Trigonelline Hydrochloride
CID 134606
4-(1H-Pyrrol-1-yl)benzoic acid
CID 2737256
6-Phenylnicotinic acid
CID 120118
5-Phenylpyridine-3-carboxylic acid
CID 346160

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid (CID 2737255) is 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(CCN2CCCC2)nc1.
What is the InChIKey of 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid?
The InChIKey is JNYWIOXOYFVKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)10-3-4-11(13-9-10)5-8-14-6-1-2-7-14/h3-4,9H,1-2,5-8H2,(H,15,16).
What are the key properties of 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid?
6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 2737255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).