2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol

C22H17F3N2O2 — CID 122197912

IUPAC2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol
SMILESOCCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2cnccc12
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)16-1-5-18(6-2-16)29-19-7-3-17(4-8-19)27-14-15(10-12-28)20-9-11-26-13-21(20)27/h1-9,11,13-14,28H,10,12H2
InChIKeyXIPHRCBPLUZGBV-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.37
Rot. Bonds5

About 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol

2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol (PubChem CID 122197912) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol
PubChem CID122197912
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol
SMILESOCCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2cnccc12
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)16-1-5-18(6-2-16)29-19-7-3-17(4-8-19)27-14-15(10-12-28)20-9-11-26-13-21(20)27/h1-9,11,13-14,28H,10,12H2
InChIKeyXIPHRCBPLUZGBV-UHFFFAOYSA-N
XLogP5.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol (CID 122197912) is 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol is OCCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2cnccc12.
What is the InChIKey of 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol?
The InChIKey is XIPHRCBPLUZGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c23-22(24,25)16-1-5-18(6-2-16)29-19-7-3-17(4-8-19)27-14-15(10-12-28)20-9-11-26-13-21(20)27/h1-9,11,13-14,28H,10,12H2.
What are the key properties of 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol?
2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol has a molecular weight of 398.38 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol is sourced from PubChem (CID 122197912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).