5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid

C13H17ClN2O4 — CID 82691325

IUPAC5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(OCCO)CC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O4/c14-11-7-9(13(18)19)8-15-12(11)16-3-1-10(2-4-16)20-6-5-17/h7-8,10,17H,1-6H2,(H,18,19)
InChIKeyOIKNAIGBENBTOR-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.41
Rot. Bonds5

About 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 82691325) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID82691325
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(OCCO)CC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O4/c14-11-7-9(13(18)19)8-15-12(11)16-3-1-10(2-4-16)20-6-5-17/h7-8,10,17H,1-6H2,(H,18,19)
InChIKeyOIKNAIGBENBTOR-UHFFFAOYSA-N
XLogP1.41
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid (CID 82691325) is 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCC(OCCO)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is OIKNAIGBENBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c14-11-7-9(13(18)19)8-15-12(11)16-3-1-10(2-4-16)20-6-5-17/h7-8,10,17H,1-6H2,(H,18,19).
What are the key properties of 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 300.74 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82691325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).