4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol

C16H8F6N2O2 — CID 1482352

IUPAC4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol
SMILESOc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C16H8F6N2O2/c17-15(18,19)11-7-12(16(20,21)22)23-14-10(11)5-6-13(24-14)26-9-3-1-8(25)2-4-9/h1-7,25H
InChIKeyRQMBVQYGPRMKDV-UHFFFAOYSA-N
MW374.24 g/mol
LogP5.17
Rot. Bonds2

About 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol

4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol (PubChem CID 1482352) has the molecular formula C16H8F6N2O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol.

Molecular Properties

Compound Name4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol
PubChem CID1482352
Molecular FormulaC16H8F6N2O2
Molecular Weight374.24 g/mol
Exact Mass374.05
IUPAC Name4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol
SMILESOc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C16H8F6N2O2/c17-15(18,19)11-7-12(16(20,21)22)23-14-10(11)5-6-13(24-14)26-9-3-1-8(25)2-4-9/h1-7,25H
InChIKeyRQMBVQYGPRMKDV-UHFFFAOYSA-N
XLogP5.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.24
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol?
The IUPAC name of 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol (CID 1482352) is 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol.
What is the SMILES notation for 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol?
The canonical SMILES for 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol is Oc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1.
What is the InChIKey of 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol?
The InChIKey is RQMBVQYGPRMKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N2O2/c17-15(18,19)11-7-12(16(20,21)22)23-14-10(11)5-6-13(24-14)26-9-3-1-8(25)2-4-9/h1-7,25H.
What are the key properties of 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol?
4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol has a molecular weight of 374.24 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol is sourced from PubChem (CID 1482352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).