5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine

C12H6F4N2S — CID 135379872

IUPAC5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]cc(-c3ccsc3C(F)(F)F)c2c1
InChIInChI=1S/C12H6F4N2S/c13-6-3-8-9(5-18-11(8)17-4-6)7-1-2-19-10(7)12(14,15)16/h1-5H,(H,17,18)
InChIKeyRHVOUFZDRPIYOW-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.45
Rot. Bonds1

About 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine

5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 135379872) has the molecular formula C12H6F4N2S and a molecular weight of 286.25 g/mol. Its IUPAC name is 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID135379872
Molecular FormulaC12H6F4N2S
Molecular Weight286.25 g/mol
Exact Mass286.02
IUPAC Name5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]cc(-c3ccsc3C(F)(F)F)c2c1
InChIInChI=1S/C12H6F4N2S/c13-6-3-8-9(5-18-11(8)17-4-6)7-1-2-19-10(7)12(14,15)16/h1-5H,(H,17,18)
InChIKeyRHVOUFZDRPIYOW-UHFFFAOYSA-N
XLogP4.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine
CID 135379922
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
7-[2-(trifluoromethyl)thiophen-3-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 135380126
3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 67988162
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 138496706
7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile
CID 135380001
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine
CID 71267211
8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 166941689
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-hydroxybicyclo[2.2.2]octane-2-carboxamide
CID 167449447
(2S)-3-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)thieno[3,2-b]pyridin-7-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 170115757
3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 138496672
3-(3-fluorophenyl)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 145401977

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 135379872) is 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1cnc2[nH]cc(-c3ccsc3C(F)(F)F)c2c1.
What is the InChIKey of 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RHVOUFZDRPIYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N2S/c13-6-3-8-9(5-18-11(8)17-4-6)7-1-2-19-10(7)12(14,15)16/h1-5H,(H,17,18).
What are the key properties of 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine?
5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 286.25 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135379872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).