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

C12H15Cl3N2 — CID 102752005

IUPAC2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1C
InChIInChI=1S/C12H15Cl3N2/c1-7-3-4-17(6-8(7)2)12-10(14)5-9(13)11(15)16-12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXDJAQKSWQQPCQP-UHFFFAOYSA-N
MW293.63 g/mol
LogP4.52
Rot. Bonds1

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

2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine (PubChem CID 102752005) has the molecular formula C12H15Cl3N2 and a molecular weight of 293.63 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine
PubChem CID102752005
Molecular FormulaC12H15Cl3N2
Molecular Weight293.63 g/mol
Exact Mass292.03
IUPAC Name2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1C
InChIInChI=1S/C12H15Cl3N2/c1-7-3-4-17(6-8(7)2)12-10(14)5-9(13)11(15)16-12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXDJAQKSWQQPCQP-UHFFFAOYSA-N
XLogP4.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5,6-trichloro-2-pyridinyl)piperidin-4-ol
CID 102750128
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
4-methyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751116
2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine
CID 102750334
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420
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
5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346
1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
CID 114679659
2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
CID 103878204
2-(4-bromo-3-methylpiperidin-1-yl)-3,5-dichloropyridine
CID 114682770

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine (CID 102752005) is 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine is CC1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1C.
What is the InChIKey of 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine?
The InChIKey is XDJAQKSWQQPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2/c1-7-3-4-17(6-8(7)2)12-10(14)5-9(13)11(15)16-12/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine?
2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine has a molecular weight of 293.63 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 102752005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).