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

C11H11F3N2O2 — CID 66907827

IUPACpropanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCCC(=O)O.FC(F)(F)c1ccc2[nH]ccc2n1
InChIInChI=1S/C8H5F3N2.C3H6O2/c9-8(10,11)7-2-1-5-6(13-7)3-4-12-5;1-2-3(4)5/h1-4,12H;2H2,1H3,(H,4,5)
InChIKeyZFDMJWRLMCISFW-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.06
Rot. Bonds1

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

propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 66907827) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Namepropanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID66907827
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Namepropanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCCC(=O)O.FC(F)(F)c1ccc2[nH]ccc2n1
InChIInChI=1S/C8H5F3N2.C3H6O2/c9-8(10,11)7-2-1-5-6(13-7)3-4-12-5;1-2-3(4)5/h1-4,12H;2H2,1H3,(H,4,5)
InChIKeyZFDMJWRLMCISFW-UHFFFAOYSA-N
XLogP3.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine (CID 66907827) is propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine is CCC(=O)O.FC(F)(F)c1ccc2[nH]ccc2n1.
What is the InChIKey of propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ZFDMJWRLMCISFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2.C3H6O2/c9-8(10,11)7-2-1-5-6(13-7)3-4-12-5;1-2-3(4)5/h1-4,12H;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 260.21 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 66907827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).