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

C24H16F6N2O3 — CID 11202726

IUPAC2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2ccc(OCc3cnc(-c4ccc(C(F)(F)F)cc4)cc3C(F)(F)F)cc21
InChIInChI=1S/C24H16F6N2O3/c25-23(26,27)17-4-1-14(2-5-17)20-10-19(24(28,29)30)16(11-31-20)13-35-18-6-3-15-7-8-32(12-22(33)34)21(15)9-18/h1-11H,12-13H2,(H,33,34)
InChIKeyHGXLFWLGFLLNNO-UHFFFAOYSA-N
MW494.39 g/mol
LogP6.40
Rot. Bonds6

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

2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid (PubChem CID 11202726) has the molecular formula C24H16F6N2O3 and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid
PubChem CID11202726
Molecular FormulaC24H16F6N2O3
Molecular Weight494.39 g/mol
Exact Mass494.11
IUPAC Name2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2ccc(OCc3cnc(-c4ccc(C(F)(F)F)cc4)cc3C(F)(F)F)cc21
InChIInChI=1S/C24H16F6N2O3/c25-23(26,27)17-4-1-14(2-5-17)20-10-19(24(28,29)30)16(11-31-20)13-35-18-6-3-15-7-8-32(12-22(33)34)21(15)9-18/h1-11H,12-13H2,(H,33,34)
InChIKeyHGXLFWLGFLLNNO-UHFFFAOYSA-N
XLogP6.40
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.39
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid (CID 11202726) is 2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid is O=C(O)Cn1ccc2ccc(OCc3cnc(-c4ccc(C(F)(F)F)cc4)cc3C(F)(F)F)cc21.
What is the InChIKey of 2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The InChIKey is HGXLFWLGFLLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O3/c25-23(26,27)17-4-1-14(2-5-17)20-10-19(24(28,29)30)16(11-31-20)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-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid has a molecular weight of 494.39 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11202726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).