3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one

C14H8ClFN2O2 — CID 171976185

IUPAC3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2c(F)cccc2Cl)c(O)nc2ccccn12
InChIInChI=1S/C14H8ClFN2O2/c15-8-4-3-5-9(16)11(8)12-13(19)17-10-6-1-2-7-18(10)14(12)20/h1-7,19H
InChIKeyKJTSSOONTYZGSY-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.86
Rot. Bonds1

About 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one

3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 171976185) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID171976185
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2c(F)cccc2Cl)c(O)nc2ccccn12
InChIInChI=1S/C14H8ClFN2O2/c15-8-4-3-5-9(16)11(8)12-13(19)17-10-6-1-2-7-18(10)14(12)20/h1-7,19H
InChIKeyKJTSSOONTYZGSY-UHFFFAOYSA-N
XLogP2.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 171976185) is 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2c(F)cccc2Cl)c(O)nc2ccccn12.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KJTSSOONTYZGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-8-4-3-5-9(16)11(8)12-13(19)17-10-6-1-2-7-18(10)14(12)20/h1-7,19H.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 290.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 171976185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).