3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one

C10H8BrFN2O — CID 158831693

IUPAC3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(Br)c(CF)nc2c1
InChIInChI=1S/C10H8BrFN2O/c1-6-2-3-14-8(4-6)13-7(5-12)9(11)10(14)15/h2-4H,5H2,1H3
InChIKeyDIGBUQJSTMOMLV-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.23
Rot. Bonds1

About 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one

3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 158831693) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID158831693
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(Br)c(CF)nc2c1
InChIInChI=1S/C10H8BrFN2O/c1-6-2-3-14-8(4-6)13-7(5-12)9(11)10(14)15/h2-4H,5H2,1H3
InChIKeyDIGBUQJSTMOMLV-UHFFFAOYSA-N
XLogP2.23
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 158831693) is 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)c(Br)c(CF)nc2c1.
What is the InChIKey of 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DIGBUQJSTMOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-6-2-3-14-8(4-6)13-7(5-12)9(11)10(14)15/h2-4H,5H2,1H3.
What are the key properties of 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.09 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158831693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).