2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine

C15H24ClNO — CID 134969340

IUPAC2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine
SMILESCCCCC(CC)COCCc1cccnc1Cl
InChIInChI=1S/C15H24ClNO/c1-3-5-7-13(4-2)12-18-11-9-14-8-6-10-17-15(14)16/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3
InChIKeyNOHJBLONCBGTQH-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.51
Rot. Bonds9

About 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine

2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine (PubChem CID 134969340) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine
PubChem CID134969340
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine
SMILESCCCCC(CC)COCCc1cccnc1Cl
InChIInChI=1S/C15H24ClNO/c1-3-5-7-13(4-2)12-18-11-9-14-8-6-10-17-15(14)16/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3
InChIKeyNOHJBLONCBGTQH-UHFFFAOYSA-N
XLogP4.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine?
The IUPAC name of 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine (CID 134969340) is 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine.
What is the SMILES notation for 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine?
The canonical SMILES for 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine is CCCCC(CC)COCCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine?
The InChIKey is NOHJBLONCBGTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-5-7-13(4-2)12-18-11-9-14-8-6-10-17-15(14)16/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3.
What are the key properties of 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine?
2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine has a molecular weight of 269.82 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(2-ethylhexoxy)ethyl]pyridine is sourced from PubChem (CID 134969340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).