2-chloro-5-(trichloromethyl)-2,3-dihydropyridine

C6H5Cl4N — CID 89339087

IUPAC2-chloro-5-(trichloromethyl)-2,3-dihydropyridine
SMILESClC1CC=C(C(Cl)(Cl)Cl)C=N1
InChIInChI=1S/C6H5Cl4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1,3,5H,2H2
InChIKeySAYPGMJGPAVEBC-UHFFFAOYSA-N
MW232.93 g/mol
LogP3.32
Rot. Bonds

About 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine

2-chloro-5-(trichloromethyl)-2,3-dihydropyridine (PubChem CID 89339087) has the molecular formula C6H5Cl4N and a molecular weight of 232.93 g/mol. Its IUPAC name is 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-5-(trichloromethyl)-2,3-dihydropyridine
PubChem CID89339087
Molecular FormulaC6H5Cl4N
Molecular Weight232.93 g/mol
Exact Mass230.92
IUPAC Name2-chloro-5-(trichloromethyl)-2,3-dihydropyridine
SMILESClC1CC=C(C(Cl)(Cl)Cl)C=N1
InChIInChI=1S/C6H5Cl4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1,3,5H,2H2
InChIKeySAYPGMJGPAVEBC-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.93
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine (CID 89339087) is 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine is ClC1CC=C(C(Cl)(Cl)Cl)C=N1.
What is the InChIKey of 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine?
The InChIKey is SAYPGMJGPAVEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1,3,5H,2H2.
What are the key properties of 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine?
2-chloro-5-(trichloromethyl)-2,3-dihydropyridine has a molecular weight of 232.93 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trichloromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 89339087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).