7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one

C10H7BrF2N2O — CID 138958354

IUPAC7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(Br)cn2c(=O)c1F
InChIInChI=1S/C10H7BrF2N2O/c1-2-7-8(13)10(16)15-4-5(11)3-6(12)9(15)14-7/h3-4H,2H2,1H3
InChIKeyNOXFOMKSGAMCAR-UHFFFAOYSA-N
MW289.08 g/mol
LogP2.30
Rot. Bonds1

About 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one

7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 138958354) has the molecular formula C10H7BrF2N2O and a molecular weight of 289.08 g/mol. Its IUPAC name is 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID138958354
Molecular FormulaC10H7BrF2N2O
Molecular Weight289.08 g/mol
Exact Mass287.97
IUPAC Name7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(Br)cn2c(=O)c1F
InChIInChI=1S/C10H7BrF2N2O/c1-2-7-8(13)10(16)15-4-5(11)3-6(12)9(15)14-7/h3-4H,2H2,1H3
InChIKeyNOXFOMKSGAMCAR-UHFFFAOYSA-N
XLogP2.30
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one (CID 138958354) is 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one is CCc1nc2c(F)cc(Br)cn2c(=O)c1F.
What is the InChIKey of 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NOXFOMKSGAMCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O/c1-2-7-8(13)10(16)15-4-5(11)3-6(12)9(15)14-7/h3-4H,2H2,1H3.
What are the key properties of 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 289.08 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138958354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).