3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine

C16H9ClF3NO — CID 2446861

IUPAC3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H9ClF3NO/c17-13-8-11(16(18,19)20)9-21-15(13)22-14-7-3-5-10-4-1-2-6-12(10)14/h1-9H
InChIKeyQFYRVGXUDGULLD-UHFFFAOYSA-N
MW323.70 g/mol
LogP5.70
Rot. Bonds2

About 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine

3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine (PubChem CID 2446861) has the molecular formula C16H9ClF3NO and a molecular weight of 323.70 g/mol. Its IUPAC name is 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine
PubChem CID2446861
Molecular FormulaC16H9ClF3NO
Molecular Weight323.70 g/mol
Exact Mass323.03
IUPAC Name3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H9ClF3NO/c17-13-8-11(16(18,19)20)9-21-15(13)22-14-7-3-5-10-4-1-2-6-12(10)14/h1-9H
InChIKeyQFYRVGXUDGULLD-UHFFFAOYSA-N
XLogP5.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.70
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine (CID 2446861) is 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2cccc3ccccc23)c(Cl)c1.
What is the InChIKey of 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine?
The InChIKey is QFYRVGXUDGULLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO/c17-13-8-11(16(18,19)20)9-21-15(13)22-14-7-3-5-10-4-1-2-6-12(10)14/h1-9H.
What are the key properties of 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine?
3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine has a molecular weight of 323.70 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2446861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).