3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine

C14H7F3N2O2 — CID 138496706

IUPAC3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]cc(-c3cccc4c3OC(F)(F)O4)c2c1
InChIInChI=1S/C14H7F3N2O2/c15-7-4-9-10(6-19-13(9)18-5-7)8-2-1-3-11-12(8)21-14(16,17)20-11/h1-6H,(H,18,19)
InChIKeyCUOYDPMGUWGYQH-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.69
Rot. Bonds1

About 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine

3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 138496706) has the molecular formula C14H7F3N2O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine
PubChem CID138496706
Molecular FormulaC14H7F3N2O2
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]cc(-c3cccc4c3OC(F)(F)O4)c2c1
InChIInChI=1S/C14H7F3N2O2/c15-7-4-9-10(6-19-13(9)18-5-7)8-2-1-3-11-12(8)21-14(16,17)20-11/h1-6H,(H,18,19)
InChIKeyCUOYDPMGUWGYQH-UHFFFAOYSA-N
XLogP3.69
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-[3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 90221111
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-[5-[1-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydrothiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 146342659
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
CID 58086501
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-methyl-1H-pyrrole;molecular hydrogen
CID 144607700
5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 135379872
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine
CID 71267211
5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene
CID 144735481
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 166386048
N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfinamide
CID 146342631
5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide
CID 122561514
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine (CID 138496706) is 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine is Fc1cnc2[nH]cc(-c3cccc4c3OC(F)(F)O4)c2c1.
What is the InChIKey of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CUOYDPMGUWGYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2/c15-7-4-9-10(6-19-13(9)18-5-7)8-2-1-3-11-12(8)21-14(16,17)20-11/h1-6H,(H,18,19).
What are the key properties of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine?
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 292.22 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 138496706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).