propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C11H10F3N2O2- — CID 86639056

IUPACpropanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCC(=O)[O-].FC(F)(F)c1cnc2[nH]ccc2c1
InChIInChI=1S/C8H5F3N2.C3H6O2/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6;1-2-3(4)5/h1-4H,(H,12,13);2H2,1H3,(H,4,5)/p-1
InChIKeyAWHVLNQSKYBGAP-UHFFFAOYSA-M
MW259.21 g/mol
LogP1.73
Rot. Bonds1

About propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 86639056) has the molecular formula C11H10F3N2O2- and a molecular weight of 259.21 g/mol. Its IUPAC name is propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namepropanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID86639056
Molecular FormulaC11H10F3N2O2-
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Namepropanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCC(=O)[O-].FC(F)(F)c1cnc2[nH]ccc2c1
InChIInChI=1S/C8H5F3N2.C3H6O2/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6;1-2-3(4)5/h1-4H,(H,12,13);2H2,1H3,(H,4,5)/p-1
InChIKeyAWHVLNQSKYBGAP-UHFFFAOYSA-M
XLogP1.73
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 86639056) is propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is CCC(=O)[O-].FC(F)(F)c1cnc2[nH]ccc2c1.
What is the InChIKey of propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AWHVLNQSKYBGAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5F3N2.C3H6O2/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6;1-2-3(4)5/h1-4H,(H,12,13);2H2,1H3,(H,4,5)/p-1.
What are the key properties of propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 259.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 86639056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).