2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine

C19H14F3NO — CID 70228522

IUPAC2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine
SMILESC=C(OC)c1ccc2cccc(-c3cc(C(F)(F)F)ccn3)c2c1
InChIInChI=1S/C19H14F3NO/c1-12(24-2)14-7-6-13-4-3-5-16(17(13)10-14)18-11-15(8-9-23-18)19(20,21)22/h3-11H,1H2,2H3
InChIKeyGFHIBVYNCDSRPC-UHFFFAOYSA-N
MW329.32 g/mol
LogP5.54
Rot. Bonds3

About 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine

2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine (PubChem CID 70228522) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine
PubChem CID70228522
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine
SMILESC=C(OC)c1ccc2cccc(-c3cc(C(F)(F)F)ccn3)c2c1
InChIInChI=1S/C19H14F3NO/c1-12(24-2)14-7-6-13-4-3-5-16(17(13)10-14)18-11-15(8-9-23-18)19(20,21)22/h3-11H,1H2,2H3
InChIKeyGFHIBVYNCDSRPC-UHFFFAOYSA-N
XLogP5.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.32
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine (CID 70228522) is 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine is C=C(OC)c1ccc2cccc(-c3cc(C(F)(F)F)ccn3)c2c1.
What is the InChIKey of 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine?
The InChIKey is GFHIBVYNCDSRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c1-12(24-2)14-7-6-13-4-3-5-16(17(13)10-14)18-11-15(8-9-23-18)19(20,21)22/h3-11H,1H2,2H3.
What are the key properties of 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine?
2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine has a molecular weight of 329.32 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-methoxyethenyl)naphthalen-1-yl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 70228522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).