2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

C12H14F3N3O — CID 66412425

IUPAC2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(CCOC(F)(F)F)c2ncccc12
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)19-7-6-18-8-9(3-4-16)10-2-1-5-17-11(10)18/h1-2,5,8H,3-4,6-7,16H2
InChIKeyNQNDVJUAUBZVQD-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.07
Rot. Bonds5

About 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 66412425) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID66412425
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(CCOC(F)(F)F)c2ncccc12
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)19-7-6-18-8-9(3-4-16)10-2-1-5-17-11(10)18/h1-2,5,8H,3-4,6-7,16H2
InChIKeyNQNDVJUAUBZVQD-UHFFFAOYSA-N
XLogP2.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 115518332
2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413024
2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 66411058
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103015076
2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 171106231
5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
CID 66412628
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414725
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103049943
2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413022
2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66411455
2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 79697393
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413562

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 66412425) is 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is NCCc1cn(CCOC(F)(F)F)c2ncccc12.
What is the InChIKey of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is NQNDVJUAUBZVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)19-7-6-18-8-9(3-4-16)10-2-1-5-17-11(10)18/h1-2,5,8H,3-4,6-7,16H2.
What are the key properties of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 273.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 66412425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).