7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H10BrFN2O2 — CID 9415674

IUPAC7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(COc2ccc(F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C15H10BrFN2O2/c16-10-1-6-14-18-12(7-15(20)19(14)8-10)9-21-13-4-2-11(17)3-5-13/h1-8H,9H2
InChIKeyFWEKVCSPKSCBSC-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.18
Rot. Bonds3

About 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9415674) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID9415674
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(COc2ccc(F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C15H10BrFN2O2/c16-10-1-6-14-18-12(7-15(20)19(14)8-10)9-21-13-4-2-11(17)3-5-13/h1-8H,9H2
InChIKeyFWEKVCSPKSCBSC-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 9415674) is 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(COc2ccc(F)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FWEKVCSPKSCBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-10-1-6-14-18-12(7-15(20)19(14)8-10)9-21-13-4-2-11(17)3-5-13/h1-8H,9H2.
What are the key properties of 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 349.16 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(4-fluorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9415674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).