7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one

C9H6BrFN2O2 — CID 138958343

IUPAC7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(=O)n2cc(Br)cc(F)c2n1
InChIInChI=1S/C9H6BrFN2O2/c1-15-7-3-8(14)13-4-5(10)2-6(11)9(13)12-7/h2-4H,1H3
InChIKeyPDJIZFCTNOPNCI-UHFFFAOYSA-N
MW273.06 g/mol
LogP1.60
Rot. Bonds1

About 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one

7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 138958343) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID138958343
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(=O)n2cc(Br)cc(F)c2n1
InChIInChI=1S/C9H6BrFN2O2/c1-15-7-3-8(14)13-4-5(10)2-6(11)9(13)12-7/h2-4H,1H3
InChIKeyPDJIZFCTNOPNCI-UHFFFAOYSA-N
XLogP1.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one (CID 138958343) is 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one is COc1cc(=O)n2cc(Br)cc(F)c2n1.
What is the InChIKey of 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PDJIZFCTNOPNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c1-15-7-3-8(14)13-4-5(10)2-6(11)9(13)12-7/h2-4H,1H3.
What are the key properties of 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one?
7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.06 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-fluoro-2-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138958343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).