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

C14H19ClN2O3 — CID 162444949

IUPAC5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCOCCC1CCN(c2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3/c1-20-7-4-10-2-5-17(6-3-10)13-12(15)8-11(9-16-13)14(18)19/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyPJBMIYHHMLCTSU-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.69
Rot. Bonds5

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

5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 162444949) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID162444949
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCOCCC1CCN(c2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3/c1-20-7-4-10-2-5-17(6-3-10)13-12(15)8-11(9-16-13)14(18)19/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyPJBMIYHHMLCTSU-UHFFFAOYSA-N
XLogP2.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 162444949) is 5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid is COCCC1CCN(c2ncc(C(=O)O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is PJBMIYHHMLCTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-20-7-4-10-2-5-17(6-3-10)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-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 298.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 162444949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).