6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid

C13H18ClN3O2 — CID 63376785

IUPAC6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCN1CCCC1CNc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H18ClN3O2/c1-2-17-7-3-4-9(17)8-15-12-10(13(18)19)5-6-11(14)16-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyDWMYQZVUOYUFPM-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.33
Rot. Bonds5

About 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid

6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 63376785) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID63376785
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCN1CCCC1CNc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H18ClN3O2/c1-2-17-7-3-4-9(17)8-15-12-10(13(18)19)5-6-11(14)16-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyDWMYQZVUOYUFPM-UHFFFAOYSA-N
XLogP2.33
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
4-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 79837693
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
CID 83074714
5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64629675
6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine
CID 7435966
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
CID 133417486
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid (CID 63376785) is 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid is CCN1CCCC1CNc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is DWMYQZVUOYUFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-17-7-3-4-9(17)8-15-12-10(13(18)19)5-6-11(14)16-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid?
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 283.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63376785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).