2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine

C11H13Cl3N2O — CID 102750334

IUPAC2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine
SMILESCOC1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C11H13Cl3N2O/c1-17-7-2-4-16(5-3-7)11-9(13)6-8(12)10(14)15-11/h6-7H,2-5H2,1H3
InChIKeyZFQWWSZMDMQVKW-UHFFFAOYSA-N
MW295.60 g/mol
LogP3.66
Rot. Bonds2

About 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine

2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine (PubChem CID 102750334) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine
PubChem CID102750334
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine
SMILESCOC1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C11H13Cl3N2O/c1-17-7-2-4-16(5-3-7)11-9(13)6-8(12)10(14)15-11/h6-7H,2-5H2,1H3
InChIKeyZFQWWSZMDMQVKW-UHFFFAOYSA-N
XLogP3.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-6-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 122142004
3,5-dichloro-N-ethyl-6-(4-methoxypiperidin-1-yl)pyridin-2-amine
CID 102755942
1-(3,5,6-trichloro-2-pyridinyl)piperidin-4-ol
CID 102750128
4-methyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751116
2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine
CID 102752005
1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 102750107
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 79075665
3,5-dichloro-4-(4-methoxypiperidin-1-yl)pyridine
CID 174621595
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
CID 62869567

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine (CID 102750334) is 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine is COC1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1.
What is the InChIKey of 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine?
The InChIKey is ZFQWWSZMDMQVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O/c1-17-7-2-4-16(5-3-7)11-9(13)6-8(12)10(14)15-11/h6-7H,2-5H2,1H3.
What are the key properties of 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine?
2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine has a molecular weight of 295.60 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine is sourced from PubChem (CID 102750334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).