7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

C9H7FN2O2 — CID 176681980

IUPAC7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CO)cnc2ccc(F)cn12
InChIInChI=1S/C9H7FN2O2/c10-7-1-2-8-11-3-6(5-13)9(14)12(8)4-7/h1-4,13H,5H2
InChIKeyWNTNVBSVOKXDPL-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.33
Rot. Bonds1

About 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681980) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID176681980
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CO)cnc2ccc(F)cn12
InChIInChI=1S/C9H7FN2O2/c10-7-1-2-8-11-3-6(5-13)9(14)12(8)4-7/h1-4,13H,5H2
InChIKeyWNTNVBSVOKXDPL-UHFFFAOYSA-N
XLogP0.33
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 176681980) is 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(CO)cnc2ccc(F)cn12.
What is the InChIKey of 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WNTNVBSVOKXDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7-1-2-8-11-3-6(5-13)9(14)12(8)4-7/h1-4,13H,5H2.
What are the key properties of 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 194.17 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).