5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one

C12H8FN3O — CID 167967319

IUPAC5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H8FN3O/c13-8-2-1-7-3-11(16-10(7)4-8)9-5-14-6-15-12(9)17/h1-6,16H,(H,14,15,17)
InChIKeyNSUPTWURIQFWGJ-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.06
Rot. Bonds1

About 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one

5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one (PubChem CID 167967319) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one
PubChem CID167967319
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H8FN3O/c13-8-2-1-7-3-11(16-10(7)4-8)9-5-14-6-15-12(9)17/h1-6,16H,(H,14,15,17)
InChIKeyNSUPTWURIQFWGJ-UHFFFAOYSA-N
XLogP2.06
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one (CID 167967319) is 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one is O=c1[nH]cncc1-c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is NSUPTWURIQFWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-8-2-1-7-3-11(16-10(7)4-8)9-5-14-6-15-12(9)17/h1-6,16H,(H,14,15,17).
What are the key properties of 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one?
5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 229.21 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-indol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167967319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).