4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol

C25H16F3NO2 — CID 155520372

IUPAC4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol
SMILESOc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3cccc(C(F)(F)F)c3)nc1-2
InChIInChI=1S/C25H16F3NO2/c26-25(27,28)16-5-3-4-14(10-16)22-13-20(19-6-1-2-7-23(19)31)21-12-15-11-17(30)8-9-18(15)24(21)29-22/h1-11,13,30-31H,12H2
InChIKeyQSJSONIDQPGMKB-UHFFFAOYSA-N
MW419.40 g/mol
LogP6.42
Rot. Bonds2

About 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol

4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol (PubChem CID 155520372) has the molecular formula C25H16F3NO2 and a molecular weight of 419.40 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol
PubChem CID155520372
Molecular FormulaC25H16F3NO2
Molecular Weight419.40 g/mol
Exact Mass419.11
IUPAC Name4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol
SMILESOc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3cccc(C(F)(F)F)c3)nc1-2
InChIInChI=1S/C25H16F3NO2/c26-25(27,28)16-5-3-4-14(10-16)22-13-20(19-6-1-2-7-23(19)31)21-12-15-11-17(30)8-9-18(15)24(21)29-22/h1-11,13,30-31H,12H2
InChIKeyQSJSONIDQPGMKB-UHFFFAOYSA-N
XLogP6.42
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol?
The IUPAC name of 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol (CID 155520372) is 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol.
What is the SMILES notation for 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol?
The canonical SMILES for 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol is Oc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3cccc(C(F)(F)F)c3)nc1-2.
What is the InChIKey of 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol?
The InChIKey is QSJSONIDQPGMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3NO2/c26-25(27,28)16-5-3-4-14(10-16)22-13-20(19-6-1-2-7-23(19)31)21-12-15-11-17(30)8-9-18(15)24(21)29-22/h1-11,13,30-31H,12H2.
What are the key properties of 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol?
4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol has a molecular weight of 419.40 g/mol, XLogP of 6.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol is sourced from PubChem (CID 155520372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).