6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid

C13H17ClN2O2 — CID 64923401

IUPAC6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCC(Nc2nc(Cl)ccc2C(=O)O)C1C
InChIInChI=1S/C13H17ClN2O2/c1-7-3-5-10(8(7)2)15-12-9(13(17)18)4-6-11(14)16-12/h4,6-8,10H,3,5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYDCRBNNZEATYMI-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.28
Rot. Bonds3

About 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid

6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid (PubChem CID 64923401) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid
PubChem CID64923401
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCC(Nc2nc(Cl)ccc2C(=O)O)C1C
InChIInChI=1S/C13H17ClN2O2/c1-7-3-5-10(8(7)2)15-12-9(13(17)18)4-6-11(14)16-12/h4,6-8,10H,3,5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYDCRBNNZEATYMI-UHFFFAOYSA-N
XLogP3.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]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

5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
CID 64921035
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
6-chloro-2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83037052
2-[(2,3-dimethylcyclopentyl)amino]-5-fluorobenzoic acid
CID 64922679
2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid
CID 64920642
6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine
CID 64920876
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid
CID 114096139
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
6-chloro-2-(2-cyclopentyloxyethylamino)pyridine-3-carboxylic acid
CID 63827444
6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164247
6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
CID 65313622

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid (CID 64923401) is 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid is CC1CCC(Nc2nc(Cl)ccc2C(=O)O)C1C.
What is the InChIKey of 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid?
The InChIKey is YDCRBNNZEATYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-7-3-5-10(8(7)2)15-12-9(13(17)18)4-6-11(14)16-12/h4,6-8,10H,3,5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 64923401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).