3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one

C17H15ClF3NO2 — CID 141221401

IUPAC3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(CCc2cccc(OC(F)(F)F)c2)c(C2CC2)cc1Cl
InChIInChI=1S/C17H15ClF3NO2/c18-14-9-13(11-5-6-11)15(22-16(14)23)7-4-10-2-1-3-12(8-10)24-17(19,20)21/h1-3,8-9,11H,4-7H2,(H,22,23)
InChIKeyRKKDCBBKWILDKD-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.59
Rot. Bonds5

About 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one

3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one (PubChem CID 141221401) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
PubChem CID141221401
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(CCc2cccc(OC(F)(F)F)c2)c(C2CC2)cc1Cl
InChIInChI=1S/C17H15ClF3NO2/c18-14-9-13(11-5-6-11)15(22-16(14)23)7-4-10-2-1-3-12(8-10)24-17(19,20)21/h1-3,8-9,11H,4-7H2,(H,22,23)
InChIKeyRKKDCBBKWILDKD-UHFFFAOYSA-N
XLogP4.59
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
CID 177656749
5-(2-Fluoro-5-methoxyphenyl)-6-neopentylpyridin-2-ol
CID 117759871
3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
CID 141221392
3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
CID 141221398
3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
CID 141221406
3,5-dichloro-6-[2-[2-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
CID 141221411
5-chloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
CID 141221417
5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
CID 141221424
[3-[(E)-3-[(3-chloro-6-methylcyclohexa-1,3-dien-1-yl)amino]-3-oxoprop-1-enyl]-2,6-difluorophenyl] acetate
CID 163716102
2-chloro-N-[(1S,2S)-2-[(3-methoxyphenyl)methyl]-1-methylcyclopropyl]acetamide
CID 178339020
2-chloro-N-[(1S,2R)-2-[(3-methoxyphenyl)methyl]-1-methylcyclopropyl]acetamide
CID 178339021
2-Hydroxy-6-(3-trifluoromethoxyphenyl)pyridine
CID 53218151

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one (CID 141221401) is 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one is O=c1[nH]c(CCc2cccc(OC(F)(F)F)c2)c(C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one?
The InChIKey is RKKDCBBKWILDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c18-14-9-13(11-5-6-11)15(22-16(14)23)7-4-10-2-1-3-12(8-10)24-17(19,20)21/h1-3,8-9,11H,4-7H2,(H,22,23).
What are the key properties of 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one?
3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one has a molecular weight of 357.76 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 141221401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).