ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate

C18H15ClF3NO3 — CID 142415214

IUPACethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2Cl)nc1
InChIInChI=1S/C18H15ClF3NO3/c1-2-25-16(24)11-3-6-15(23-10-11)26-14-5-4-12(9-13(14)19)17(7-8-17)18(20,21)22/h3-6,9-10H,2,7-8H2,1H3
InChIKeyDHHVQGMDVCAJNZ-UHFFFAOYSA-N
MW385.77 g/mol
LogP5.30
Rot. Bonds5

About ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate

ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate (PubChem CID 142415214) has the molecular formula C18H15ClF3NO3 and a molecular weight of 385.77 g/mol. Its IUPAC name is ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
PubChem CID142415214
Molecular FormulaC18H15ClF3NO3
Molecular Weight385.77 g/mol
Exact Mass385.07
IUPAC Nameethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2Cl)nc1
InChIInChI=1S/C18H15ClF3NO3/c1-2-25-16(24)11-3-6-15(23-10-11)26-14-5-4-12(9-13(14)19)17(7-8-17)18(20,21)22/h3-6,9-10H,2,7-8H2,1H3
InChIKeyDHHVQGMDVCAJNZ-UHFFFAOYSA-N
XLogP5.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.77
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724
1-[6-[4-[1-(1,1-difluoroethyl)cyclopropyl]-2-methylphenoxy]-3-pyridinyl]ethanone
CID 158968389
ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide
CID 142414873
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid
CID 157386377

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate (CID 142415214) is ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2Cl)nc1.
What is the InChIKey of ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate?
The InChIKey is DHHVQGMDVCAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO3/c1-2-25-16(24)11-3-6-15(23-10-11)26-14-5-4-12(9-13(14)19)17(7-8-17)18(20,21)22/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate?
ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate has a molecular weight of 385.77 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 142415214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).