3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid

C13H16Cl2N2O3 — CID 57127962

IUPAC3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(OCCC2CCCCN2)c1Cl
InChIInChI=1S/C13H16Cl2N2O3/c14-9-7-17-12(11(15)10(9)13(18)19)20-6-4-8-3-1-2-5-16-8/h7-8,16H,1-6H2,(H,18,19)
InChIKeyXKVQHNKBCIXSRR-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.00
Rot. Bonds5

About 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid

3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid (PubChem CID 57127962) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid
PubChem CID57127962
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(OCCC2CCCCN2)c1Cl
InChIInChI=1S/C13H16Cl2N2O3/c14-9-7-17-12(11(15)10(9)13(18)19)20-6-4-8-3-1-2-5-16-8/h7-8,16H,1-6H2,(H,18,19)
InChIKeyXKVQHNKBCIXSRR-UHFFFAOYSA-N
XLogP3.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
2-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrazine
CID 86321843
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
CID 79717731
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate
CID 86319798

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid (CID 57127962) is 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid is O=C(O)c1c(Cl)cnc(OCCC2CCCCN2)c1Cl.
What is the InChIKey of 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid?
The InChIKey is XKVQHNKBCIXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c14-9-7-17-12(11(15)10(9)13(18)19)20-6-4-8-3-1-2-5-16-8/h7-8,16H,1-6H2,(H,18,19).
What are the key properties of 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid?
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid has a molecular weight of 319.19 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 57127962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).