2-benzyl-3,4,5-trichloropyridine

C12H8Cl3N — CID 173468894

IUPAC2-benzyl-3,4,5-trichloropyridine
SMILESClc1cnc(Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl3N/c13-9-7-16-10(12(15)11(9)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyUBRDSCHEBMTGPZ-UHFFFAOYSA-N
MW272.56 g/mol
LogP4.63
Rot. Bonds2

About 2-benzyl-3,4,5-trichloropyridine

2-benzyl-3,4,5-trichloropyridine (PubChem CID 173468894) has the molecular formula C12H8Cl3N and a molecular weight of 272.56 g/mol. Its IUPAC name is 2-benzyl-3,4,5-trichloropyridine.

Molecular Properties

Compound Name2-benzyl-3,4,5-trichloropyridine
PubChem CID173468894
Molecular FormulaC12H8Cl3N
Molecular Weight272.56 g/mol
Exact Mass270.97
IUPAC Name2-benzyl-3,4,5-trichloropyridine
SMILESClc1cnc(Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl3N/c13-9-7-16-10(12(15)11(9)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyUBRDSCHEBMTGPZ-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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phenyl(113C)methylbenzene
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2-benzyl-5-chloro-N,N-dimethylpyridine-3-carbothioamide
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2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide
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CID 114759785
3-benzyl-2-chloropyridine
CID 22768075
6,9-dibenzyl-2-chloropurine
CID 11759453
3-(6-benzyl-5-methyl-3-pyridinyl)propane-1,2-diamine
CID 54255540
3-benzyl-6-chloro-4-methylpyridazine
CID 71445564
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CID 117260664

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4,5-trichloropyridine?
The IUPAC name of 2-benzyl-3,4,5-trichloropyridine (CID 173468894) is 2-benzyl-3,4,5-trichloropyridine.
What is the SMILES notation for 2-benzyl-3,4,5-trichloropyridine?
The canonical SMILES for 2-benzyl-3,4,5-trichloropyridine is Clc1cnc(Cc2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 2-benzyl-3,4,5-trichloropyridine?
The InChIKey is UBRDSCHEBMTGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N/c13-9-7-16-10(12(15)11(9)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 2-benzyl-3,4,5-trichloropyridine?
2-benzyl-3,4,5-trichloropyridine has a molecular weight of 272.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4,5-trichloropyridine is sourced from PubChem (CID 173468894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).