3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine

C13H10F3NO — CID 46317325

IUPAC3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(C(F)(F)F)ccc1-c1cccnc1
InChIInChI=1S/C13H10F3NO/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9/h2-8H,1H3
InChIKeyIYJQZNRHPAYOAZ-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.78
Rot. Bonds2

About 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine

3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 46317325) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
PubChem CID46317325
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(C(F)(F)F)ccc1-c1cccnc1
InChIInChI=1S/C13H10F3NO/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9/h2-8H,1H3
InChIKeyIYJQZNRHPAYOAZ-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine (CID 46317325) is 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine is COc1cc(C(F)(F)F)ccc1-c1cccnc1.
What is the InChIKey of 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is IYJQZNRHPAYOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-18-12-7-10(13(14,15)16)4-5-11(12)9-3-2-6-17-8-9/h2-8H,1H3.
What are the key properties of 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine?
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 253.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46317325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).