2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one

C14H9FN2O2 — CID 67282238

IUPAC2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2c(F)ccc3ccccc23)[nH]1
InChIInChI=1S/C14H9FN2O2/c15-10-6-5-8-3-1-2-4-9(8)13(10)14-16-11(18)7-12(19)17-14/h1-7H,(H2,16,17,18,19)
InChIKeyKBCSBGZVTHQCQS-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.43
Rot. Bonds1

About 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 67282238) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID67282238
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2c(F)ccc3ccccc23)[nH]1
InChIInChI=1S/C14H9FN2O2/c15-10-6-5-8-3-1-2-4-9(8)13(10)14-16-11(18)7-12(19)17-14/h1-7H,(H2,16,17,18,19)
InChIKeyKBCSBGZVTHQCQS-UHFFFAOYSA-N
XLogP2.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 67282238) is 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2c(F)ccc3ccccc23)[nH]1.
What is the InChIKey of 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is KBCSBGZVTHQCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-6-5-8-3-1-2-4-9(8)13(10)14-16-11(18)7-12(19)17-14/h1-7H,(H2,16,17,18,19).
What are the key properties of 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 256.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoronaphthalen-1-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 67282238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).