5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid

C23H17F3N2O4 — CID 71212145

IUPAC5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccnc3)ccc2n1CCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)32-19-6-4-18(5-7-19)31-11-10-28-20-8-3-15(16-2-1-9-27-14-16)12-17(20)13-21(28)22(29)30/h1-9,12-14H,10-11H2,(H,29,30)
InChIKeyABDNGOJRJMGYNZ-UHFFFAOYSA-N
MW442.39 g/mol
LogP5.38
Rot. Bonds7

About 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid

5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid (PubChem CID 71212145) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
PubChem CID71212145
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC Name5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccnc3)ccc2n1CCOc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)32-19-6-4-18(5-7-19)31-11-10-28-20-8-3-15(16-2-1-9-27-14-16)12-17(20)13-21(28)22(29)30/h1-9,12-14H,10-11H2,(H,29,30)
InChIKeyABDNGOJRJMGYNZ-UHFFFAOYSA-N
XLogP5.38
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrazin-2-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
CID 71212142
5-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
CID 71212124
4-chloro-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 89376018
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 141247478
5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 168741031
4-(3-ethoxyphenyl)-1-[2-(4-pyridin-3-yloxyphenoxy)ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212120
2-methyl-1-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrrole-3-carboxylic acid
CID 56670245
methyl 6-[3-(3-methoxypropyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxyhexanoate;methyl 6-[3-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]oxyhexanoate
CID 158655362
4-(3-ethoxyphenyl)-1-[2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212622
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
2-[2-methyl-4-[[5-pyridin-3-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
CID 58955971
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid?
The IUPAC name of 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid (CID 71212145) is 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid.
What is the SMILES notation for 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid?
The canonical SMILES for 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid is O=C(O)c1cc2cc(-c3cccnc3)ccc2n1CCOc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid?
The InChIKey is ABDNGOJRJMGYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c24-23(25,26)32-19-6-4-18(5-7-19)31-11-10-28-20-8-3-15(16-2-1-9-27-14-16)12-17(20)13-21(28)22(29)30/h1-9,12-14H,10-11H2,(H,29,30).
What are the key properties of 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid?
5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid has a molecular weight of 442.39 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid is sourced from PubChem (CID 71212145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).