3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid

C15H14ClFN2O5 — CID 42646322

IUPAC3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid
SMILESO=C(c1ccc(F)cc1)C1CN=C2C=CC=CN2C1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C15H13FN2O.ClHO4/c16-13-6-4-11(5-7-13)15(19)12-9-17-14-3-1-2-8-18(14)10-12;2-1(3,4)5/h1-8,12H,9-10H2;(H,2,3,4,5)
InChIKeyKMXHWBCLFWJOQW-UHFFFAOYSA-N
MW356.74 g/mol
LogP-1.70
Rot. Bonds2

About 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid

3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid (PubChem CID 42646322) has the molecular formula C15H14ClFN2O5 and a molecular weight of 356.74 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid
PubChem CID42646322
Molecular FormulaC15H14ClFN2O5
Molecular Weight356.74 g/mol
Exact Mass356.06
IUPAC Name3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid
SMILESO=C(c1ccc(F)cc1)C1CN=C2C=CC=CN2C1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C15H13FN2O.ClHO4/c16-13-6-4-11(5-7-13)15(19)12-9-17-14-3-1-2-8-18(14)10-12;2-1(3,4)5/h1-8,12H,9-10H2;(H,2,3,4,5)
InChIKeyKMXHWBCLFWJOQW-UHFFFAOYSA-N
XLogP-1.70
TPSA122.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid?
The IUPAC name of 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid (CID 42646322) is 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid.
What is the SMILES notation for 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid?
The canonical SMILES for 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid is O=C(c1ccc(F)cc1)C1CN=C2C=CC=CN2C1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid?
The InChIKey is KMXHWBCLFWJOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O.ClHO4/c16-13-6-4-11(5-7-13)15(19)12-9-17-14-3-1-2-8-18(14)10-12;2-1(3,4)5/h1-8,12H,9-10H2;(H,2,3,4,5).
What are the key properties of 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid?
3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid has a molecular weight of 356.74 g/mol, XLogP of -1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl-(4-fluorophenyl)methanone;perchloric acid is sourced from PubChem (CID 42646322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).