3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine

C23H16F3NO — CID 25129120

IUPAC3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine
SMILESFC(F)(F)Oc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H16F3NO/c24-23(25,26)28-21-9-7-16(8-10-21)12-20-13-17-4-1-2-5-18(17)14-22(20)19-6-3-11-27-15-19/h1-11,13-15H,12H2
InChIKeyVIHOHZNCXCFUNW-UHFFFAOYSA-N
MW379.38 g/mol
LogP6.39
Rot. Bonds4

About 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine

3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine (PubChem CID 25129120) has the molecular formula C23H16F3NO and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine
PubChem CID25129120
Molecular FormulaC23H16F3NO
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine
SMILESFC(F)(F)Oc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H16F3NO/c24-23(25,26)28-21-9-7-16(8-10-21)12-20-13-17-4-1-2-5-18(17)14-22(20)19-6-3-11-27-15-19/h1-11,13-15H,12H2
InChIKeyVIHOHZNCXCFUNW-UHFFFAOYSA-N
XLogP6.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine?
The IUPAC name of 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine (CID 25129120) is 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine?
The canonical SMILES for 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine is FC(F)(F)Oc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1.
What is the InChIKey of 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine?
The InChIKey is VIHOHZNCXCFUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO/c24-23(25,26)28-21-9-7-16(8-10-21)12-20-13-17-4-1-2-5-18(17)14-22(20)19-6-3-11-27-15-19/h1-11,13-15H,12H2.
What are the key properties of 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine?
3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine has a molecular weight of 379.38 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(trifluoromethoxy)phenyl]methyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 25129120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).