1-(3,5,6-trichloro-2-pyridinyl)piperazine

C9H10Cl3N3 — CID 103607077

IUPAC1-(3,5,6-trichloro-2-pyridinyl)piperazine
SMILESClc1cc(Cl)c(N2CCNCC2)nc1Cl
InChIInChI=1S/C9H10Cl3N3/c10-6-5-7(11)9(14-8(6)12)15-3-1-13-2-4-15/h5,13H,1-4H2
InChIKeyZJOMFJWTOOUCQG-UHFFFAOYSA-N
MW266.56 g/mol
LogP2.45
Rot. Bonds1

About 1-(3,5,6-trichloro-2-pyridinyl)piperazine

1-(3,5,6-trichloro-2-pyridinyl)piperazine (PubChem CID 103607077) has the molecular formula C9H10Cl3N3 and a molecular weight of 266.56 g/mol. Its IUPAC name is 1-(3,5,6-trichloro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3,5,6-trichloro-2-pyridinyl)piperazine
PubChem CID103607077
Molecular FormulaC9H10Cl3N3
Molecular Weight266.56 g/mol
Exact Mass264.99
IUPAC Name1-(3,5,6-trichloro-2-pyridinyl)piperazine
SMILESClc1cc(Cl)c(N2CCNCC2)nc1Cl
InChIInChI=1S/C9H10Cl3N3/c10-6-5-7(11)9(14-8(6)12)15-3-1-13-2-4-15/h5,13H,1-4H2
InChIKeyZJOMFJWTOOUCQG-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 52.45
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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Related Compounds

1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 102750107
1-(3,5,6-trichloro-2-pyridinyl)piperidin-4-ol
CID 102750128
3-(3,5,6-trichloro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 102751220
2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine
CID 102750334
4-methyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751116
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
CID 166485216
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213
3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
CID 166485276
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749

Frequently Asked Questions

What is the IUPAC name of 1-(3,5,6-trichloro-2-pyridinyl)piperazine?
The IUPAC name of 1-(3,5,6-trichloro-2-pyridinyl)piperazine (CID 103607077) is 1-(3,5,6-trichloro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3,5,6-trichloro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3,5,6-trichloro-2-pyridinyl)piperazine is Clc1cc(Cl)c(N2CCNCC2)nc1Cl.
What is the InChIKey of 1-(3,5,6-trichloro-2-pyridinyl)piperazine?
The InChIKey is ZJOMFJWTOOUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3N3/c10-6-5-7(11)9(14-8(6)12)15-3-1-13-2-4-15/h5,13H,1-4H2.
What are the key properties of 1-(3,5,6-trichloro-2-pyridinyl)piperazine?
1-(3,5,6-trichloro-2-pyridinyl)piperazine has a molecular weight of 266.56 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,6-trichloro-2-pyridinyl)piperazine is sourced from PubChem (CID 103607077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).