6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid

C11H12N2O2 — CID 167015805

IUPAC6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid
SMILESCC1CC=CN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H12N2O2/c1-8-3-2-6-13(8)10-5-4-9(7-12-10)11(14)15/h2,4-8H,3H2,1H3,(H,14,15)
InChIKeyKAOYRGDUHXVYNO-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.89
Rot. Bonds2

About 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid

6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid (PubChem CID 167015805) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid
PubChem CID167015805
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid
SMILESCC1CC=CN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H12N2O2/c1-8-3-2-6-13(8)10-5-4-9(7-12-10)11(14)15/h2,4-8H,3H2,1H3,(H,14,15)
InChIKeyKAOYRGDUHXVYNO-UHFFFAOYSA-N
XLogP1.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-methyl-2,3-dihydropyrrol-1-yl)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

6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62331437
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
6-[(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67514233
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-3-carboxylic acid
CID 64836665
6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
CID 121202191
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid (CID 167015805) is 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid is CC1CC=CN1c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is KAOYRGDUHXVYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-3-2-6-13(8)10-5-4-9(7-12-10)11(14)15/h2,4-8H,3H2,1H3,(H,14,15).
What are the key properties of 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid?
6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167015805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).