1-[4-(trifluoromethoxy)phenyl]-2H-pyridine

C12H10F3NO — CID 151254586

IUPAC1-[4-(trifluoromethoxy)phenyl]-2H-pyridine
SMILESFC(F)(F)Oc1ccc(N2C=CC=CC2)cc1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)17-11-6-4-10(5-7-11)16-8-2-1-3-9-16/h1-8H,9H2
InChIKeyNTBDGUZKWLWQRH-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.48
Rot. Bonds2

About 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine

1-[4-(trifluoromethoxy)phenyl]-2H-pyridine (PubChem CID 151254586) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]-2H-pyridine
PubChem CID151254586
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1-[4-(trifluoromethoxy)phenyl]-2H-pyridine
SMILESFC(F)(F)Oc1ccc(N2C=CC=CC2)cc1
InChIInChI=1S/C12H10F3NO/c13-12(14,15)17-11-6-4-10(5-7-11)16-8-2-1-3-9-16/h1-8H,9H2
InChIKeyNTBDGUZKWLWQRH-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole
CID 23048508
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-[4-(trifluoromethoxy)phenyl]pyrazolidine
CID 141290039
3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine
CID 90008186
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrazole
CID 154020860
4-(4-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]-1,7-dihydropyrrolo[2,3-c]pyridine
CID 123875701
2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane
CID 135192815
4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
CID 171061640
(3aR,7aS)-2-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98353834
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine (CID 151254586) is 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine is FC(F)(F)Oc1ccc(N2C=CC=CC2)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine?
The InChIKey is NTBDGUZKWLWQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)17-11-6-4-10(5-7-11)16-8-2-1-3-9-16/h1-8H,9H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine?
1-[4-(trifluoromethoxy)phenyl]-2H-pyridine has a molecular weight of 241.21 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]-2H-pyridine is sourced from PubChem (CID 151254586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).