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

C8H5F3N2O — CID 57092940

IUPAC6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
SMILESFC(F)(F)Oc1cnc2cc[nH]c2c1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)14-5-3-7-6(13-4-5)1-2-12-7/h1-4,12H
InChIKeySAZQBJFAXGVSJF-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.46
Rot. Bonds1

About 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine

6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 57092940) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
PubChem CID57092940
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
SMILESFC(F)(F)Oc1cnc2cc[nH]c2c1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)14-5-3-7-6(13-4-5)1-2-12-7/h1-4,12H
InChIKeySAZQBJFAXGVSJF-UHFFFAOYSA-N
XLogP2.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine (CID 57092940) is 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine is FC(F)(F)Oc1cnc2cc[nH]c2c1.
What is the InChIKey of 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is SAZQBJFAXGVSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)14-5-3-7-6(13-4-5)1-2-12-7/h1-4,12H.
What are the key properties of 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine?
6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 202.14 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 57092940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).