6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C14H19ClN2O2 — CID 63380066

IUPAC6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1(C)CCN(c2nc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H19ClN2O2/c1-3-14(2)6-8-17(9-7-14)12-10(13(18)19)4-5-11(15)16-12/h4-5H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyDETJOBNPNMZVCT-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.45
Rot. Bonds3

About 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 63380066) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID63380066
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1(C)CCN(c2nc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H19ClN2O2/c1-3-14(2)6-8-17(9-7-14)12-10(13(18)19)4-5-11(15)16-12/h4-5H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyDETJOBNPNMZVCT-UHFFFAOYSA-N
XLogP3.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 63380066) is 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is CCC1(C)CCN(c2nc(Cl)ccc2C(=O)O)CC1.
What is the InChIKey of 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is DETJOBNPNMZVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-14(2)6-8-17(9-7-14)12-10(13(18)19)4-5-11(15)16-12/h4-5H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63380066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).