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

C11H10F3N2O2- — CID 86639059

IUPACpropanoate;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)/p-1
InChIKeyZFDMJWRLMCISFW-UHFFFAOYSA-M
MW259.21 g/mol
LogP1.73
Rot. Bonds1

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

propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 86639059) has the molecular formula C11H10F3N2O2- and a molecular weight of 259.21 g/mol. Its IUPAC name is propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Namepropanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID86639059
Molecular FormulaC11H10F3N2O2-
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Namepropanoate;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)/p-1
InChIKeyZFDMJWRLMCISFW-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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Related Compounds

propanoic acid;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
CID 66907827
propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86639056
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 171677215
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
CID 126969515
2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 156690056
N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanamine
CID 11542860
2-amino-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethanol
CID 76847412
2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
CID 143235788
2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877133
(E)-3-[2-propyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 68780604
(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
CID 130927222
[5-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl] 2-methylbutanoate
CID 174559902

Frequently Asked Questions

What is the IUPAC name of propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine (CID 86639059) is propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine is CCC(=O)[O-].FC(F)(F)c1ccc2[nH]ccc2n1.
What is the InChIKey of propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ZFDMJWRLMCISFW-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
propanoate;5-(trifluoromethyl)-1H-pyrrolo[3,2-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[3,2-b]pyridine is sourced from PubChem (CID 86639059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).