2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine

C10H10Cl3N — CID 119093338

IUPAC2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine
SMILESCc1cc(C)nc(/C=C/C(Cl)(Cl)Cl)c1
InChIInChI=1S/C10H10Cl3N/c1-7-5-8(2)14-9(6-7)3-4-10(11,12)13/h3-6H,1-2H3/b4-3+
InChIKeyWPEMVNDSNHCLRF-ONEGZZNKSA-N
MW250.56 g/mol
LogP4.08
Rot. Bonds1

About 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine

2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine (PubChem CID 119093338) has the molecular formula C10H10Cl3N and a molecular weight of 250.56 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine.

Molecular Properties

Compound Name2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine
PubChem CID119093338
Molecular FormulaC10H10Cl3N
Molecular Weight250.56 g/mol
Exact Mass248.99
IUPAC Name2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine
SMILESCc1cc(C)nc(/C=C/C(Cl)(Cl)Cl)c1
InChIInChI=1S/C10H10Cl3N/c1-7-5-8(2)14-9(6-7)3-4-10(11,12)13/h3-6H,1-2H3/b4-3+
InChIKeyWPEMVNDSNHCLRF-ONEGZZNKSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine?
The IUPAC name of 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine (CID 119093338) is 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine.
What is the SMILES notation for 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine?
The canonical SMILES for 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine is Cc1cc(C)nc(/C=C/C(Cl)(Cl)Cl)c1.
What is the InChIKey of 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine?
The InChIKey is WPEMVNDSNHCLRF-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10Cl3N/c1-7-5-8(2)14-9(6-7)3-4-10(11,12)13/h3-6H,1-2H3/b4-3+.
What are the key properties of 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine?
2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine has a molecular weight of 250.56 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(E)-3,3,3-trichloroprop-1-enyl]pyridine is sourced from PubChem (CID 119093338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).