4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol

C25H16F3NO2 — CID 155517830

IUPAC4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol
SMILESOc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2ccc(O)cc2-3)c1
InChIInChI=1S/C25H16F3NO2/c26-25(27,28)17-5-1-4-16(9-17)23-13-20(14-3-2-6-18(30)10-14)22-11-15-7-8-19(31)12-21(15)24(22)29-23/h1-10,12-13,30-31H,11H2
InChIKeyWXMAFPSEZZOGBK-UHFFFAOYSA-N
MW419.40 g/mol
LogP6.42
Rot. Bonds2

About 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol

4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol (PubChem CID 155517830) has the molecular formula C25H16F3NO2 and a molecular weight of 419.40 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol
PubChem CID155517830
Molecular FormulaC25H16F3NO2
Molecular Weight419.40 g/mol
Exact Mass419.11
IUPAC Name4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol
SMILESOc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2ccc(O)cc2-3)c1
InChIInChI=1S/C25H16F3NO2/c26-25(27,28)17-5-1-4-16(9-17)23-13-20(14-3-2-6-18(30)10-14)22-11-15-7-8-19(31)12-21(15)24(22)29-23/h1-10,12-13,30-31H,11H2
InChIKeyWXMAFPSEZZOGBK-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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Related Compounds

4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol
CID 155520372
4-(2-chlorophenyl)-2-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol
CID 155545959
2-[4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 142731316
2-(4-chlorophenyl)-4-(4-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-8-ol
CID 155518317
4-[4-(3-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 137175159
7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 160880029
2-(2-fluorophenyl)-4-(2-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-8-ol
CID 155563311
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
4-[4-(4-chlorophenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 137175160
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-(2-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-6-ol
CID 155512043

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol?
The IUPAC name of 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol (CID 155517830) is 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol.
What is the SMILES notation for 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol?
The canonical SMILES for 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol is Oc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2ccc(O)cc2-3)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol?
The InChIKey is WXMAFPSEZZOGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3NO2/c26-25(27,28)17-5-1-4-16(9-17)23-13-20(14-3-2-6-18(30)10-14)22-11-15-7-8-19(31)12-21(15)24(22)29-23/h1-10,12-13,30-31H,11H2.
What are the key properties of 4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol?
4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-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-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol is sourced from PubChem (CID 155517830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).