5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine

C15H13ClFNO — CID 79727300

IUPAC5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
SMILESFc1cc(Cl)cnc1OC1CCCc2ccccc21
InChIInChI=1S/C15H13ClFNO/c16-11-8-13(17)15(18-9-11)19-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,8-9,14H,3,5,7H2
InChIKeyIMCAQTKATFTZDC-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.33
Rot. Bonds2

About 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine

5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine (PubChem CID 79727300) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
PubChem CID79727300
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
SMILESFc1cc(Cl)cnc1OC1CCCc2ccccc21
InChIInChI=1S/C15H13ClFNO/c16-11-8-13(17)15(18-9-11)19-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,8-9,14H,3,5,7H2
InChIKeyIMCAQTKATFTZDC-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine (CID 79727300) is 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine is Fc1cc(Cl)cnc1OC1CCCc2ccccc21.
What is the InChIKey of 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The InChIKey is IMCAQTKATFTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-11-8-13(17)15(18-9-11)19-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,8-9,14H,3,5,7H2.
What are the key properties of 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine has a molecular weight of 277.73 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine is sourced from PubChem (CID 79727300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).