3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine

C12H7ClF3NO — CID 1474127

IUPAC3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C12H7ClF3NO/c13-10-6-8(12(14,15)16)7-17-11(10)18-9-4-2-1-3-5-9/h1-7H
InChIKeySOHOIHROGVVRAL-UHFFFAOYSA-N
MW273.64 g/mol
LogP4.55
Rot. Bonds2

About 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine

3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine (PubChem CID 1474127) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine
PubChem CID1474127
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C12H7ClF3NO/c13-10-6-8(12(14,15)16)7-17-11(10)18-9-4-2-1-3-5-9/h1-7H
InChIKeySOHOIHROGVVRAL-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine (CID 1474127) is 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine?
The InChIKey is SOHOIHROGVVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-10-6-8(12(14,15)16)7-17-11(10)18-9-4-2-1-3-5-9/h1-7H.
What are the key properties of 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine?
3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine has a molecular weight of 273.64 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1474127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).