2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid

C24H16F6N2O4 — CID 11214389

IUPAC2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2ccc(OCc3cnc(-c4ccc(OC(F)(F)F)cc4)cc3C(F)(F)F)cc21
InChIInChI=1S/C24H16F6N2O4/c25-23(26,27)19-10-20(14-1-4-17(5-2-14)36-24(28,29)30)31-11-16(19)13-35-18-6-3-15-7-8-32(12-22(33)34)21(15)9-18/h1-11H,12-13H2,(H,33,34)
InChIKeyUUCVQRGSGKLWFP-UHFFFAOYSA-N
MW510.39 g/mol
LogP6.28
Rot. Bonds7

About 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid

2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid (PubChem CID 11214389) has the molecular formula C24H16F6N2O4 and a molecular weight of 510.39 g/mol. Its IUPAC name is 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid
PubChem CID11214389
Molecular FormulaC24H16F6N2O4
Molecular Weight510.39 g/mol
Exact Mass510.10
IUPAC Name2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2ccc(OCc3cnc(-c4ccc(OC(F)(F)F)cc4)cc3C(F)(F)F)cc21
InChIInChI=1S/C24H16F6N2O4/c25-23(26,27)19-10-20(14-1-4-17(5-2-14)36-24(28,29)30)31-11-16(19)13-35-18-6-3-15-7-8-32(12-22(33)34)21(15)9-18/h1-11H,12-13H2,(H,33,34)
InChIKeyUUCVQRGSGKLWFP-UHFFFAOYSA-N
XLogP6.28
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid (CID 11214389) is 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid is O=C(O)Cn1ccc2ccc(OCc3cnc(-c4ccc(OC(F)(F)F)cc4)cc3C(F)(F)F)cc21.
What is the InChIKey of 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The InChIKey is UUCVQRGSGKLWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O4/c25-23(26,27)19-10-20(14-1-4-17(5-2-14)36-24(28,29)30)31-11-16(19)13-35-18-6-3-15-7-8-32(12-22(33)34)21(15)9-18/h1-11H,12-13H2,(H,33,34).
What are the key properties of 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid has a molecular weight of 510.39 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11214389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).