2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol

C16H14F3N3O — CID 56893138

IUPAC2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol
SMILESOCCNc1cc(-c2ccccc2C(F)(F)F)c2cc[nH]c2n1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)13-4-2-1-3-10(13)12-9-14(20-7-8-23)22-15-11(12)5-6-21-15/h1-6,9,23H,7-8H2,(H2,20,21,22)
InChIKeyKNZBFQPVEFXART-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.65
Rot. Bonds4

About 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol

2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol (PubChem CID 56893138) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol
PubChem CID56893138
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol
SMILESOCCNc1cc(-c2ccccc2C(F)(F)F)c2cc[nH]c2n1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)13-4-2-1-3-10(13)12-9-14(20-7-8-23)22-15-11(12)5-6-21-15/h1-6,9,23H,7-8H2,(H2,20,21,22)
InChIKeyKNZBFQPVEFXART-UHFFFAOYSA-N
XLogP3.65
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methyl-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 56888278
1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
CID 56901295
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906336
N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70708922
3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 56909607
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56916569
4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 56912389
4-isoquinolin-4-yl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70788507
4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70762148
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol (CID 56893138) is 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol is OCCNc1cc(-c2ccccc2C(F)(F)F)c2cc[nH]c2n1.
What is the InChIKey of 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol?
The InChIKey is KNZBFQPVEFXART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)13-4-2-1-3-10(13)12-9-14(20-7-8-23)22-15-11(12)5-6-21-15/h1-6,9,23H,7-8H2,(H2,20,21,22).
What are the key properties of 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol?
2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol has a molecular weight of 321.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol is sourced from PubChem (CID 56893138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).