2-(3,4-dichlorophenoxy)-5-ethynylpyridine

C13H7Cl2NO — CID 172879471

IUPAC2-(3,4-dichlorophenoxy)-5-ethynylpyridine
SMILESC#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C13H7Cl2NO/c1-2-9-3-6-13(16-8-9)17-10-4-5-11(14)12(15)7-10/h1,3-8H
InChIKeyICAVLNKZAFINJL-UHFFFAOYSA-N
MW264.11 g/mol
LogP4.16
Rot. Bonds2

About 2-(3,4-dichlorophenoxy)-5-ethynylpyridine

2-(3,4-dichlorophenoxy)-5-ethynylpyridine (PubChem CID 172879471) has the molecular formula C13H7Cl2NO and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-5-ethynylpyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-5-ethynylpyridine
PubChem CID172879471
Molecular FormulaC13H7Cl2NO
Molecular Weight264.11 g/mol
Exact Mass262.99
IUPAC Name2-(3,4-dichlorophenoxy)-5-ethynylpyridine
SMILESC#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C13H7Cl2NO/c1-2-9-3-6-13(16-8-9)17-10-4-5-11(14)12(15)7-10/h1,3-8H
InChIKeyICAVLNKZAFINJL-UHFFFAOYSA-N
XLogP4.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-5-ethynylpyridine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-5-ethynylpyridine (CID 172879471) is 2-(3,4-dichlorophenoxy)-5-ethynylpyridine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-5-ethynylpyridine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-5-ethynylpyridine is C#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-5-ethynylpyridine?
The InChIKey is ICAVLNKZAFINJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO/c1-2-9-3-6-13(16-8-9)17-10-4-5-11(14)12(15)7-10/h1,3-8H.
What are the key properties of 2-(3,4-dichlorophenoxy)-5-ethynylpyridine?
2-(3,4-dichlorophenoxy)-5-ethynylpyridine has a molecular weight of 264.11 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-5-ethynylpyridine is sourced from PubChem (CID 172879471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).