2,3,5-trichloro-4-propylpyridine

C8H8Cl3N — CID 151036328

IUPAC2,3,5-trichloro-4-propylpyridine
SMILESCCCc1c(Cl)cnc(Cl)c1Cl
InChIInChI=1S/C8H8Cl3N/c1-2-3-5-6(9)4-12-8(11)7(5)10/h4H,2-3H2,1H3
InChIKeyMBDFFKLVWBSUIN-UHFFFAOYSA-N
MW224.52 g/mol
LogP3.99
Rot. Bonds2

About 2,3,5-trichloro-4-propylpyridine

2,3,5-trichloro-4-propylpyridine (PubChem CID 151036328) has the molecular formula C8H8Cl3N and a molecular weight of 224.52 g/mol. Its IUPAC name is 2,3,5-trichloro-4-propylpyridine.

Molecular Properties

Compound Name2,3,5-trichloro-4-propylpyridine
PubChem CID151036328
Molecular FormulaC8H8Cl3N
Molecular Weight224.52 g/mol
Exact Mass222.97
IUPAC Name2,3,5-trichloro-4-propylpyridine
SMILESCCCc1c(Cl)cnc(Cl)c1Cl
InChIInChI=1S/C8H8Cl3N/c1-2-3-5-6(9)4-12-8(11)7(5)10/h4H,2-3H2,1H3
InChIKeyMBDFFKLVWBSUIN-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-4-propylpyridine?
The IUPAC name of 2,3,5-trichloro-4-propylpyridine (CID 151036328) is 2,3,5-trichloro-4-propylpyridine.
What is the SMILES notation for 2,3,5-trichloro-4-propylpyridine?
The canonical SMILES for 2,3,5-trichloro-4-propylpyridine is CCCc1c(Cl)cnc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-4-propylpyridine?
The InChIKey is MBDFFKLVWBSUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3N/c1-2-3-5-6(9)4-12-8(11)7(5)10/h4H,2-3H2,1H3.
What are the key properties of 2,3,5-trichloro-4-propylpyridine?
2,3,5-trichloro-4-propylpyridine has a molecular weight of 224.52 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-4-propylpyridine is sourced from PubChem (CID 151036328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).