3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one

C9H6BrFN2O — CID 84708942

IUPAC3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(F)cn2c(=O)c1Br
InChIInChI=1S/C9H6BrFN2O/c1-5-8(10)9(14)13-4-6(11)2-3-7(13)12-5/h2-4H,1H3
InChIKeyOAHDACDMWGPRLN-UHFFFAOYSA-N
MW257.06 g/mol
LogP1.90
Rot. Bonds

About 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one

3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 84708942) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID84708942
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccc(F)cn2c(=O)c1Br
InChIInChI=1S/C9H6BrFN2O/c1-5-8(10)9(14)13-4-6(11)2-3-7(13)12-5/h2-4H,1H3
InChIKeyOAHDACDMWGPRLN-UHFFFAOYSA-N
XLogP1.90
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 84708942) is 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccc(F)cn2c(=O)c1Br.
What is the InChIKey of 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OAHDACDMWGPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c1-5-8(10)9(14)13-4-6(11)2-3-7(13)12-5/h2-4H,1H3.
What are the key properties of 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.06 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 84708942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).