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

C13H17ClN2O2 — CID 43266685

IUPAC3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCCC1CCCCN1c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H17ClN2O2/c1-2-9-5-3-4-8-16(9)11-7-6-10(14)12(15-11)13(17)18/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyYJISSNYPRUMTAX-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.20
Rot. Bonds3

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

3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 43266685) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID43266685
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCCC1CCCCN1c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H17ClN2O2/c1-2-9-5-3-4-8-16(9)11-7-6-10(14)12(15-11)13(17)18/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyYJISSNYPRUMTAX-UHFFFAOYSA-N
XLogP3.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 65321116
3,5,6-trichloro-4-[(2R)-2-ethylpiperidin-1-yl]pyridine-2-carboxylic acid
CID 2410992
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
2-chloro-6-(2-ethylpyrrolidin-1-yl)benzoic acid
CID 54882707
3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 61224854
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 43266685) is 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid is CCC1CCCCN1c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is YJISSNYPRUMTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-9-5-3-4-8-16(9)11-7-6-10(14)12(15-11)13(17)18/h6-7,9H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid?
3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43266685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).