5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid

C13H17ClN2O3 — CID 114919432

IUPAC5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCCOC1CCCN(c2cc(C(=O)O)c(Cl)cn2)C1
InChIInChI=1S/C13H17ClN2O3/c1-2-19-9-4-3-5-16(8-9)12-6-10(13(17)18)11(14)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyFFRAGVZKOHJPGC-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid

5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 114919432) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
PubChem CID114919432
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCCOC1CCCN(c2cc(C(=O)O)c(Cl)cn2)C1
InChIInChI=1S/C13H17ClN2O3/c1-2-19-9-4-3-5-16(8-9)12-6-10(13(17)18)11(14)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyFFRAGVZKOHJPGC-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

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Related Compounds

5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689
5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
CID 114919701
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380136
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919262
2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid
CID 114919529
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 114919777
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919798
[6-(3-ethoxypiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80905232
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
5-chloro-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxylic acid
CID 102889234

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid (CID 114919432) is 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid is CCOC1CCCN(c2cc(C(=O)O)c(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is FFRAGVZKOHJPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-19-9-4-3-5-16(8-9)12-6-10(13(17)18)11(14)7-15-12/h6-7,9H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid?
5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-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 5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).