3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C8H5F3N2 — CID 11586410

IUPAC3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1c[nH]c2ncccc12
InChIInChI=1S/C8H5F3N2/c9-8(10,11)6-4-13-7-5(6)2-1-3-12-7/h1-4H,(H,12,13)
InChIKeyFMBOCDMQFPVIJC-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.58
Rot. Bonds

About 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11586410) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID11586410
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1c[nH]c2ncccc12
InChIInChI=1S/C8H5F3N2/c9-8(10,11)6-4-13-7-5(6)2-1-3-12-7/h1-4H,(H,12,13)
InChIKeyFMBOCDMQFPVIJC-UHFFFAOYSA-N
XLogP2.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 11586410) is 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)c1c[nH]c2ncccc12.
What is the InChIKey of 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FMBOCDMQFPVIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c9-8(10,11)6-4-13-7-5(6)2-1-3-12-7/h1-4H,(H,12,13).
What are the key properties of 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 186.14 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11586410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).