3-(2-chlorophenyl)-2-ethylpyridine

C13H12ClN — CID 118357808

IUPAC3-(2-chlorophenyl)-2-ethylpyridine
SMILESCCc1ncccc1-c1ccccc1Cl
InChIInChI=1S/C13H12ClN/c1-2-13-11(7-5-9-15-13)10-6-3-4-8-12(10)14/h3-9H,2H2,1H3
InChIKeyCTRRADTZDVUXHW-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.96
Rot. Bonds2

About 3-(2-chlorophenyl)-2-ethylpyridine

3-(2-chlorophenyl)-2-ethylpyridine (PubChem CID 118357808) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-ethylpyridine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-ethylpyridine
PubChem CID118357808
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name3-(2-chlorophenyl)-2-ethylpyridine
SMILESCCc1ncccc1-c1ccccc1Cl
InChIInChI=1S/C13H12ClN/c1-2-13-11(7-5-9-15-13)10-6-3-4-8-12(10)14/h3-9H,2H2,1H3
InChIKeyCTRRADTZDVUXHW-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-ethylpyridine?
The IUPAC name of 3-(2-chlorophenyl)-2-ethylpyridine (CID 118357808) is 3-(2-chlorophenyl)-2-ethylpyridine.
What is the SMILES notation for 3-(2-chlorophenyl)-2-ethylpyridine?
The canonical SMILES for 3-(2-chlorophenyl)-2-ethylpyridine is CCc1ncccc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-ethylpyridine?
The InChIKey is CTRRADTZDVUXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c1-2-13-11(7-5-9-15-13)10-6-3-4-8-12(10)14/h3-9H,2H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-2-ethylpyridine?
3-(2-chlorophenyl)-2-ethylpyridine has a molecular weight of 217.70 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-ethylpyridine is sourced from PubChem (CID 118357808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).