3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C14H12F2N2O2 — CID 135491597

IUPAC3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2cc(F)ccc2F)c(O)nc2n1CCCC2
InChIInChI=1S/C14H12F2N2O2/c15-8-4-5-10(16)9(7-8)12-13(19)17-11-3-1-2-6-18(11)14(12)20/h4-5,7,19H,1-3,6H2
InChIKeyLGXIKKOCVDXYMP-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.23
Rot. Bonds1

About 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 135491597) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID135491597
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2cc(F)ccc2F)c(O)nc2n1CCCC2
InChIInChI=1S/C14H12F2N2O2/c15-8-4-5-10(16)9(7-8)12-13(19)17-11-3-1-2-6-18(11)14(12)20/h4-5,7,19H,1-3,6H2
InChIKeyLGXIKKOCVDXYMP-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 135491597) is 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2cc(F)ccc2F)c(O)nc2n1CCCC2.
What is the InChIKey of 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LGXIKKOCVDXYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-8-4-5-10(16)9(7-8)12-13(19)17-11-3-1-2-6-18(11)14(12)20/h4-5,7,19H,1-3,6H2.
What are the key properties of 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 278.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135491597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).