2,3,5-trichloro-6-(3-ethylphenyl)pyridine

C13H10Cl3N — CID 102752691

IUPAC2,3,5-trichloro-6-(3-ethylphenyl)pyridine
SMILESCCc1cccc(-c2nc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl3N/c1-2-8-4-3-5-9(6-8)12-10(14)7-11(15)13(16)17-12/h3-7H,2H2,1H3
InChIKeyCKXNCZZDSKFVHK-UHFFFAOYSA-N
MW286.59 g/mol
LogP5.27
Rot. Bonds2

About 2,3,5-trichloro-6-(3-ethylphenyl)pyridine

2,3,5-trichloro-6-(3-ethylphenyl)pyridine (PubChem CID 102752691) has the molecular formula C13H10Cl3N and a molecular weight of 286.59 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(3-ethylphenyl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(3-ethylphenyl)pyridine
PubChem CID102752691
Molecular FormulaC13H10Cl3N
Molecular Weight286.59 g/mol
Exact Mass284.99
IUPAC Name2,3,5-trichloro-6-(3-ethylphenyl)pyridine
SMILESCCc1cccc(-c2nc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl3N/c1-2-8-4-3-5-9(6-8)12-10(14)7-11(15)13(16)17-12/h3-7H,2H2,1H3
InChIKeyCKXNCZZDSKFVHK-UHFFFAOYSA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 55.27
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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Related Compounds

3,5-dichloro-6-[3-(2-methylpropyl)phenyl]pyridin-2-amine
CID 102753955
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
2,3,5-trichloro-6-(2-methyl-4-pyridinyl)pyridine
CID 102752756
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
CID 115915027
1-bromo-3-chloro-2-(3-ethylphenyl)benzene
CID 52988182
1-ethyl-3-phenylbenzene;propane
CID 145466525
2-chloro-5-(3-ethylphenyl)-1,3,4-thiadiazole
CID 84689498
2,4-dibromo-6-(3-ethylphenyl)-1,3,5-triazine
CID 88928804
CID 143725407
CID 143725407
5-chloro-3-(3-ethylphenyl)-2-iodothiophene
CID 68915085
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(3-ethylphenyl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(3-ethylphenyl)pyridine (CID 102752691) is 2,3,5-trichloro-6-(3-ethylphenyl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(3-ethylphenyl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(3-ethylphenyl)pyridine is CCc1cccc(-c2nc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,3,5-trichloro-6-(3-ethylphenyl)pyridine?
The InChIKey is CKXNCZZDSKFVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N/c1-2-8-4-3-5-9(6-8)12-10(14)7-11(15)13(16)17-12/h3-7H,2H2,1H3.
What are the key properties of 2,3,5-trichloro-6-(3-ethylphenyl)pyridine?
2,3,5-trichloro-6-(3-ethylphenyl)pyridine has a molecular weight of 286.59 g/mol, XLogP of 5.27, 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-6-(3-ethylphenyl)pyridine is sourced from PubChem (CID 102752691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).