2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C15H12ClFN2O3 — CID 54683393

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O3/c16-10-7-9(1-2-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-4,7,21H,5-6,8H2
InChIKeyJMMFSDRANFCVOL-UHFFFAOYSA-N
MW322.72 g/mol
LogP2.00
Rot. Bonds2

About 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54683393) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54683393
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12ClFN2O3/c16-10-7-9(1-2-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-4,7,21H,5-6,8H2
InChIKeyJMMFSDRANFCVOL-UHFFFAOYSA-N
XLogP2.00
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54683393) is 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)ccn2CCN1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is JMMFSDRANFCVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-10-7-9(1-2-11(10)17)8-19-6-5-18-4-3-12(20)14(21)13(18)15(19)22/h1-4,7,21H,5-6,8H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 322.72 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54683393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).