2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine

C21H18F3NO — CID 134955917

IUPAC2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine
SMILESCOc1ccc([C@@H](CC(F)(F)F)c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C21H18F3NO/c1-26-20-12-11-18(14-25-20)19(13-21(22,23)24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,14,19H,13H2,1H3/t19-/m0/s1
InChIKeyCRKCGSGDUXEJKY-IBGZPJMESA-N
MW357.38 g/mol
LogP5.84
Rot. Bonds5

About 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine

2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine (PubChem CID 134955917) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine
PubChem CID134955917
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine
SMILESCOc1ccc([C@@H](CC(F)(F)F)c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C21H18F3NO/c1-26-20-12-11-18(14-25-20)19(13-21(22,23)24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,14,19H,13H2,1H3/t19-/m0/s1
InChIKeyCRKCGSGDUXEJKY-IBGZPJMESA-N
XLogP5.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
4,4,4-trifluoro-3-(6-methoxy-3-pyridinyl)butanoic acid
CID 114938498
(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
(2S)-4-methyl-N-[2-(pyridin-2-ylamino)ethyl]-2-[[(1S)-2,2,2-trifluoro-1-(6-methoxy-3-pyridinyl)ethyl]amino]pentanamide
CID 143879242
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
CID 114938478
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
CID 68886862
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine?
The IUPAC name of 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine (CID 134955917) is 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine?
The canonical SMILES for 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine is COc1ccc([C@@H](CC(F)(F)F)c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine?
The InChIKey is CRKCGSGDUXEJKY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18F3NO/c1-26-20-12-11-18(14-25-20)19(13-21(22,23)24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,14,19H,13H2,1H3/t19-/m0/s1.
What are the key properties of 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine?
2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine has a molecular weight of 357.38 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine is sourced from PubChem (CID 134955917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).