2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid

C10H12ClN3O2 — CID 114919529

IUPAC2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid
SMILESNC1CCN(c2cc(C(=O)O)c(Cl)cn2)C1
InChIInChI=1S/C10H12ClN3O2/c11-8-4-13-9(3-7(8)10(15)16)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2,(H,15,16)
InChIKeyFPRLBPBQMUFOIS-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.97
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid

2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid (PubChem CID 114919529) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid
PubChem CID114919529
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid
SMILESNC1CCN(c2cc(C(=O)O)c(Cl)cn2)C1
InChIInChI=1S/C10H12ClN3O2/c11-8-4-13-9(3-7(8)10(15)16)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2,(H,15,16)
InChIKeyFPRLBPBQMUFOIS-UHFFFAOYSA-N
XLogP0.97
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-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

5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 114919777
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919262
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919798
5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114919341
5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
CID 114919701
5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
CID 114919432
5-chloro-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyridine-4-carboxylic acid
CID 114919776
5-chloro-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxylic acid
CID 102889234
(3S)-1-(5,6-dichloro-3-pyridinyl)pyrrolidin-3-amine
CID 130693092
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid (CID 114919529) is 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid is NC1CCN(c2cc(C(=O)O)c(Cl)cn2)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid?
The InChIKey is FPRLBPBQMUFOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-4-13-9(3-7(8)10(15)16)14-2-1-6(12)5-14/h3-4,6H,1-2,5,12H2,(H,15,16).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid?
2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid has a molecular weight of 241.68 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 114919529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).