[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C19H16F3NO2 — CID 99792639

IUPAC[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1C(F)(F)F)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)17-7-6-15(24)12-16(17)18(25)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h1-8,12,24H,9-11H2
InChIKeyXZYHIVLGQNSWEL-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.34
Rot. Bonds2

About [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 99792639) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID99792639
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1C(F)(F)F)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)17-7-6-15(24)12-16(17)18(25)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h1-8,12,24H,9-11H2
InChIKeyXZYHIVLGQNSWEL-UHFFFAOYSA-N
XLogP4.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylsulfanylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18106500
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169573
(2-phenoxyphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18284551
(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112802745
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 56809621
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112802805
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate
CID 38298822
(5-nitrothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 17393436
6-(furan-2-yl)-3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-pyridin-2-one
CID 71883426
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 167849084

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 99792639) is [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cc(O)ccc1C(F)(F)F)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is XZYHIVLGQNSWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)17-7-6-15(24)12-16(17)18(25)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h1-8,12,24H,9-11H2.
What are the key properties of [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 347.34 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 99792639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).