5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine

C16H15ClF3NO3 — CID 90122845

IUPAC5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESCOCCOCOc1ccc(Cl)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H15ClF3NO3/c1-22-6-7-23-10-24-14-4-3-12(17)8-13(14)11-2-5-15(21-9-11)16(18,19)20/h2-5,8-9H,6-7,10H2,1H3
InChIKeyHWIDZCFMBPKDQL-UHFFFAOYSA-N
MW361.75 g/mol
LogP4.42
Rot. Bonds7

About 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine

5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 90122845) has the molecular formula C16H15ClF3NO3 and a molecular weight of 361.75 g/mol. Its IUPAC name is 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID90122845
Molecular FormulaC16H15ClF3NO3
Molecular Weight361.75 g/mol
Exact Mass361.07
IUPAC Name5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESCOCCOCOc1ccc(Cl)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H15ClF3NO3/c1-22-6-7-23-10-24-14-4-3-12(17)8-13(14)11-2-5-15(21-9-11)16(18,19)20/h2-5,8-9H,6-7,10H2,1H3
InChIKeyHWIDZCFMBPKDQL-UHFFFAOYSA-N
XLogP4.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methoxy-1-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-1-ium
CID 123245448
1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
CID 75529973
3-bromo-1-(4-chlorophenyl)-5-[5-(4-chlorophenyl)-2-(2-methoxyethoxymethoxy)phenyl]-4-[[2-methoxy-2-(2-methoxyethoxymethoxy)ethoxy]methoxy]-2-(trifluoromethyl)benzene
CID 151510345
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
1-[1-(3-chlorophenyl)-2-methoxyethyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 154837822
(3S)-N-[4-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-hydroxy-2-methyl-6-oxo-3-propan-2-yl-3H-pyridazine-5-carboxamide
CID 118637201
[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol
CID 118898131
2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene
CID 86718605
3-ethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]pyridin-2-amine
CID 175748083
6-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
CID 118008383
2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118841877
tert-butyl N-[4-[4-[[5-chloro-2-(2-methoxyethoxymethoxy)benzoyl]amino]-2-fluorophenoxy]cyclohexyl]carbamate
CID 59204998

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine (CID 90122845) is 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine is COCCOCOc1ccc(Cl)cc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is HWIDZCFMBPKDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3/c1-22-6-7-23-10-24-14-4-3-12(17)8-13(14)11-2-5-15(21-9-11)16(18,19)20/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine?
5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 361.75 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(2-methoxyethoxymethoxy)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 90122845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).