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

C9H8F2N2O — CID 139631683

IUPAC1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine
SMILESFC(F)COn1ccc2ncccc21
InChIInChI=1S/C9H8F2N2O/c10-9(11)6-14-13-5-3-7-8(13)2-1-4-12-7/h1-5,9H,6H2
InChIKeyXTEHDRYZQXUSOL-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.73
Rot. Bonds3

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

1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine (PubChem CID 139631683) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine
PubChem CID139631683
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine
SMILESFC(F)COn1ccc2ncccc21
InChIInChI=1S/C9H8F2N2O/c10-9(11)6-14-13-5-3-7-8(13)2-1-4-12-7/h1-5,9H,6H2
InChIKeyXTEHDRYZQXUSOL-UHFFFAOYSA-N
XLogP1.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethoxy)benzimidazole
CID 173023567
1-(2,2-difluoroethyl)pyrrolo[3,2-b]pyridine
CID 139615824
1-[(2-methylpropan-2-yl)oxy]pyrrolo[3,2-b]pyridine
CID 67836444
1-iodopyrrolo[3,2-b]pyridine
CID 70894838
1-hydroxypyrrolo[3,2-b]pyridine
CID 22988006
pyrrolo[3,2-b]pyridin-1-amine
CID 19601545
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
CID 67260198
pyrrolo[3,2-b]pyridine-1-carboxamide
CID 89303380
tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
CID 135080166
2-(2,2-difluoroethoxy)pyrazole-3-carboxylic acid
CID 151667211
1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride
CID 158417064

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine (CID 139631683) is 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine is FC(F)COn1ccc2ncccc21.
What is the InChIKey of 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine?
The InChIKey is XTEHDRYZQXUSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-9(11)6-14-13-5-3-7-8(13)2-1-4-12-7/h1-5,9H,6H2.
What are the key properties of 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine?
1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine has a molecular weight of 198.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 139631683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).