6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol

C17H10F6N2O — CID 17039583

IUPAC6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol
SMILESOc1ccc(Cc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)nc1
InChIInChI=1S/C17H10F6N2O/c18-16(19,20)13-3-1-2-12-9(6-10-4-5-11(26)8-24-10)7-14(17(21,22)23)25-15(12)13/h1-5,7-8,26H,6H2
InChIKeyASDDZKNGQMDDPD-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.96
Rot. Bonds2

About 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol

6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol (PubChem CID 17039583) has the molecular formula C17H10F6N2O and a molecular weight of 372.27 g/mol. Its IUPAC name is 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol
PubChem CID17039583
Molecular FormulaC17H10F6N2O
Molecular Weight372.27 g/mol
Exact Mass372.07
IUPAC Name6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol
SMILESOc1ccc(Cc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)nc1
InChIInChI=1S/C17H10F6N2O/c18-16(19,20)13-3-1-2-12-9(6-10-4-5-11(26)8-24-10)7-14(17(21,22)23)25-15(12)13/h1-5,7-8,26H,6H2
InChIKeyASDDZKNGQMDDPD-UHFFFAOYSA-N
XLogP4.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol (CID 17039583) is 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol is Oc1ccc(Cc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)nc1.
What is the InChIKey of 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol?
The InChIKey is ASDDZKNGQMDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O/c18-16(19,20)13-3-1-2-12-9(6-10-4-5-11(26)8-24-10)7-14(17(21,22)23)25-15(12)13/h1-5,7-8,26H,6H2.
What are the key properties of 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol?
6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol has a molecular weight of 372.27 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 17039583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).