6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid

C13H17ClN2O3 — CID 63380136

IUPAC6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCOC1CCCN(c2nc(Cl)ccc2C(=O)O)C1
InChIInChI=1S/C13H17ClN2O3/c1-2-19-9-4-3-7-16(8-9)12-10(13(17)18)5-6-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyPPPFUDYITGLCDX-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.44
Rot. Bonds4

About 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid

6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 63380136) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID63380136
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCOC1CCCN(c2nc(Cl)ccc2C(=O)O)C1
InChIInChI=1S/C13H17ClN2O3/c1-2-19-9-4-3-7-16(8-9)12-10(13(17)18)5-6-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyPPPFUDYITGLCDX-UHFFFAOYSA-N
XLogP2.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 55183258
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
CID 114919432
6-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboxylic acid
CID 79170050
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
6-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380421
6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 63380022
5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989959
(E)-3-[4-chloro-2-(3-ethoxypiperidin-1-yl)phenyl]prop-2-enoic acid
CID 114858335
2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine
CID 103886477
6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380066

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid (CID 63380136) is 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid is CCOC1CCCN(c2nc(Cl)ccc2C(=O)O)C1.
What is the InChIKey of 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is PPPFUDYITGLCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-19-9-4-3-7-16(8-9)12-10(13(17)18)5-6-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid?
6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63380136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).