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

C13H9F3N2OS — CID 135379922

IUPAC5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1cc2c(-c3ccsc3C(F)(F)F)c[nH]c2cn1
InChIInChI=1S/C13H9F3N2OS/c1-19-11-4-8-9(5-17-10(8)6-18-11)7-2-3-20-12(7)13(14,15)16/h2-6,17H,1H3
InChIKeyMOJOSSOJIFMELK-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.32
Rot. Bonds2

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

5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine (PubChem CID 135379922) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine
PubChem CID135379922
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC Name5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1cc2c(-c3ccsc3C(F)(F)F)c[nH]c2cn1
InChIInChI=1S/C13H9F3N2OS/c1-19-11-4-8-9(5-17-10(8)6-18-11)7-2-3-20-12(7)13(14,15)16/h2-6,17H,1H3
InChIKeyMOJOSSOJIFMELK-UHFFFAOYSA-N
XLogP4.32
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine (CID 135379922) is 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine is COc1cc2c(-c3ccsc3C(F)(F)F)c[nH]c2cn1.
What is the InChIKey of 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is MOJOSSOJIFMELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c1-19-11-4-8-9(5-17-10(8)6-18-11)7-2-3-20-12(7)13(14,15)16/h2-6,17H,1H3.
What are the key properties of 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine?
5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 298.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 135379922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).