2-(2,5-dichlorophenyl)-3,6-dimethylpyridine

C13H11Cl2N — CID 118830570

IUPAC2-(2,5-dichlorophenyl)-3,6-dimethylpyridine
SMILESCc1ccc(C)c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl2N/c1-8-3-4-9(2)16-13(8)11-7-10(14)5-6-12(11)15/h3-7H,1-2H3
InChIKeyNZHUEMWLWZPWRO-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.67
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine

2-(2,5-dichlorophenyl)-3,6-dimethylpyridine (PubChem CID 118830570) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-3,6-dimethylpyridine
PubChem CID118830570
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name2-(2,5-dichlorophenyl)-3,6-dimethylpyridine
SMILESCc1ccc(C)c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl2N/c1-8-3-4-9(2)16-13(8)11-7-10(14)5-6-12(11)15/h3-7H,1-2H3
InChIKeyNZHUEMWLWZPWRO-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine?
The IUPAC name of 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine (CID 118830570) is 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine is Cc1ccc(C)c(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine?
The InChIKey is NZHUEMWLWZPWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c1-8-3-4-9(2)16-13(8)11-7-10(14)5-6-12(11)15/h3-7H,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine?
2-(2,5-dichlorophenyl)-3,6-dimethylpyridine has a molecular weight of 252.14 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-3,6-dimethylpyridine is sourced from PubChem (CID 118830570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).