3-(3,5-dichlorophenyl)-2-ethylpyridine

C13H11Cl2N — CID 118357675

IUPAC3-(3,5-dichlorophenyl)-2-ethylpyridine
SMILESCCc1ncccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2N/c1-2-13-12(4-3-5-16-13)9-6-10(14)8-11(15)7-9/h3-8H,2H2,1H3
InChIKeyFFMTXKQRWHQOSS-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.62
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-2-ethylpyridine

3-(3,5-dichlorophenyl)-2-ethylpyridine (PubChem CID 118357675) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-2-ethylpyridine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-2-ethylpyridine
PubChem CID118357675
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name3-(3,5-dichlorophenyl)-2-ethylpyridine
SMILESCCc1ncccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2N/c1-2-13-12(4-3-5-16-13)9-6-10(14)8-11(15)7-9/h3-8H,2H2,1H3
InChIKeyFFMTXKQRWHQOSS-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-2-ethylpyridine?
The IUPAC name of 3-(3,5-dichlorophenyl)-2-ethylpyridine (CID 118357675) is 3-(3,5-dichlorophenyl)-2-ethylpyridine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-2-ethylpyridine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-2-ethylpyridine is CCc1ncccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-2-ethylpyridine?
The InChIKey is FFMTXKQRWHQOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c1-2-13-12(4-3-5-16-13)9-6-10(14)8-11(15)7-9/h3-8H,2H2,1H3.
What are the key properties of 3-(3,5-dichlorophenyl)-2-ethylpyridine?
3-(3,5-dichlorophenyl)-2-ethylpyridine has a molecular weight of 252.14 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-2-ethylpyridine is sourced from PubChem (CID 118357675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).