ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine

C13H12F2N4 — CID 144524176

IUPACethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC.Fc1cnc(-c2c[nH]c3ncc(F)cc23)nc1
InChIInChI=1S/C11H6F2N4.C2H6/c12-6-1-8-9(5-17-10(8)14-2-6)11-15-3-7(13)4-16-11;1-2/h1-5H,(H,14,17);1-2H3
InChIKeyHWYSLLQIFOSBGM-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.32
Rot. Bonds1

About ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine

ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 144524176) has the molecular formula C13H12F2N4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID144524176
Molecular FormulaC13H12F2N4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC.Fc1cnc(-c2c[nH]c3ncc(F)cc23)nc1
InChIInChI=1S/C11H6F2N4.C2H6/c12-6-1-8-9(5-17-10(8)14-2-6)11-15-3-7(13)4-16-11;1-2/h1-5H,(H,14,17);1-2H3
InChIKeyHWYSLLQIFOSBGM-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 144524176) is ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine is CC.Fc1cnc(-c2c[nH]c3ncc(F)cc23)nc1.
What is the InChIKey of ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HWYSLLQIFOSBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4.C2H6/c12-6-1-8-9(5-17-10(8)14-2-6)11-15-3-7(13)4-16-11;1-2/h1-5H,(H,14,17);1-2H3.
What are the key properties of ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine?
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 262.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 144524176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).