5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine

C22H19F3INO — CID 89347606

IUPAC5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine
SMILESC[C@](Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1ccc(CI)cn1
InChIInChI=1S/C22H19F3INO/c1-21(13-16-6-3-2-4-7-16,20-11-10-17(14-26)15-27-20)18-8-5-9-19(12-18)28-22(23,24)25/h2-12,15H,13-14H2,1H3/t21-/m0/s1
InChIKeyARZDNRVQCFNIBN-NRFANRHFSA-N
MW497.30 g/mol
LogP6.46
Rot. Bonds6

About 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine

5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine (PubChem CID 89347606) has the molecular formula C22H19F3INO and a molecular weight of 497.30 g/mol. Its IUPAC name is 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine
PubChem CID89347606
Molecular FormulaC22H19F3INO
Molecular Weight497.30 g/mol
Exact Mass497.05
IUPAC Name5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine
SMILESC[C@](Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1ccc(CI)cn1
InChIInChI=1S/C22H19F3INO/c1-21(13-16-6-3-2-4-7-16,20-11-10-17(14-26)15-27-20)18-8-5-9-19(12-18)28-22(23,24)25/h2-12,15H,13-14H2,1H3/t21-/m0/s1
InChIKeyARZDNRVQCFNIBN-NRFANRHFSA-N
XLogP6.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.30
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(2R)-1-phenyl-2-[3-(1,1,2-trifluoropropan-2-yloxy)phenyl]propan-2-yl]pyridine
CID 162604635
4-[[(1S)-1-[5-(iodomethyl)-2-pyridinyl]-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamoylamino]benzoic acid
CID 89347681
3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 59192639
1-[(1S)-1-[5-(iodomethyl)-2-pyridinyl]-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)urea
CID 89347682
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine
CID 59192681
1-[1-(5-hydroxy-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-propan-2-ylurea
CID 143473954
cis-(1S,2R)-2-[[(1S)-1-[5-(iodomethyl)-2-pyridinyl]-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 89347549
1-[(1S)-1-[5-(iodomethyl)-2-pyridinyl]-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-[(4R)-3-oxo-1,2-oxazolidin-4-yl]urea
CID 89347631
3-fluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]aniline
CID 59192957
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butan-1-amine
CID 123725264
3-[2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-methyl-1,2-oxazole
CID 87580657
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419

Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine?
The IUPAC name of 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine (CID 89347606) is 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine.
What is the SMILES notation for 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine?
The canonical SMILES for 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine is C[C@](Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1ccc(CI)cn1.
What is the InChIKey of 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine?
The InChIKey is ARZDNRVQCFNIBN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19F3INO/c1-21(13-16-6-3-2-4-7-16,20-11-10-17(14-26)15-27-20)18-8-5-9-19(12-18)28-22(23,24)25/h2-12,15H,13-14H2,1H3/t21-/m0/s1.
What are the key properties of 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine?
5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine has a molecular weight of 497.30 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-2-[(2S)-1-phenyl-2-[3-(trifluoromethoxy)phenyl]propan-2-yl]pyridine is sourced from PubChem (CID 89347606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).