3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid

C14H19ClN2O2 — CID 114593616

IUPAC3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CC(C)C(C)N(c2ccc(Cl)c(C(=O)O)n2)C1
InChIInChI=1S/C14H19ClN2O2/c1-8-6-9(2)10(3)17(7-8)12-5-4-11(15)13(16-12)14(18)19/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyHMWIWWBQGBHJKN-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.30
Rot. Bonds2

About 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid

3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 114593616) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID114593616
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CC(C)C(C)N(c2ccc(Cl)c(C(=O)O)n2)C1
InChIInChI=1S/C14H19ClN2O2/c1-8-6-9(2)10(3)17(7-8)12-5-4-11(15)13(16-12)14(18)19/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyHMWIWWBQGBHJKN-UHFFFAOYSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 114593616) is 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid is CC1CC(C)C(C)N(c2ccc(Cl)c(C(=O)O)n2)C1.
What is the InChIKey of 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is HMWIWWBQGBHJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-8-6-9(2)10(3)17(7-8)12-5-4-11(15)13(16-12)14(18)19/h4-5,8-10H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid?
3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114593616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).