5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid

C14H19ClN2O2 — CID 55049889

IUPAC5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCCC1CCN(c2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-3-10-4-6-17(7-5-10)13-12(15)8-11(9-16-13)14(18)19/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyGKDJVLZILQHHHQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.45
Rot. Bonds4

About 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid

5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 55049889) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID55049889
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCCC1CCN(c2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-3-10-4-6-17(7-5-10)13-12(15)8-11(9-16-13)14(18)19/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyGKDJVLZILQHHHQ-UHFFFAOYSA-N
XLogP3.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 55049889) is 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid is CCCC1CCN(c2ncc(C(=O)O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is GKDJVLZILQHHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-3-10-4-6-17(7-5-10)13-12(15)8-11(9-16-13)14(18)19/h8-10H,2-7H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55049889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).