4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

C12H14F3NO2 — CID 10061196

IUPAC4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESOC1CCCCc2c(OCC(F)(F)F)ccnc21
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)7-18-10-5-6-16-11-8(10)3-1-2-4-9(11)17/h5-6,9,17H,1-4,7H2
InChIKeyXEGJEODAGJUQEE-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.78
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 10061196) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID10061196
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESOC1CCCCc2c(OCC(F)(F)F)ccnc21
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)7-18-10-5-6-16-11-8(10)3-1-2-4-9(11)17/h5-6,9,17H,1-4,7H2
InChIKeyXEGJEODAGJUQEE-UHFFFAOYSA-N
XLogP2.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol with MolForge

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Related Compounds

2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
3,5-Dimethyl-2-hydroxymethyl-4-methoxy-pyridine
CID 737823
alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004
2-[3-(Pyridin-2-ylmethoxy)phenyl]heptan-2-ol
CID 14349154
Pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 56652017
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71519630
(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
CID 71555441
(S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol
CID 89524608
(S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 127043691
(S)-(4-methoxyphenyl)-pyridin-2-ylmethanol
CID 3246512
4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol
CID 10465749
US9102622, 89.9 Hydrate form
CID 25019391

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 10061196) is 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is OC1CCCCc2c(OCC(F)(F)F)ccnc21.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is XEGJEODAGJUQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)7-18-10-5-6-16-11-8(10)3-1-2-4-9(11)17/h5-6,9,17H,1-4,7H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 261.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 10061196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).