3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one

C10H8BrFN2O2 — CID 67510341

IUPAC3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(CCO)nc2ccc(F)cn12
InChIInChI=1S/C10H8BrFN2O2/c11-9-7(3-4-15)13-8-2-1-6(12)5-14(8)10(9)16/h1-2,5,15H,3-4H2
InChIKeyRYOVTEFNQDEWAX-UHFFFAOYSA-N
MW287.09 g/mol
LogP1.13
Rot. Bonds2

About 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one

3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 67510341) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID67510341
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(CCO)nc2ccc(F)cn12
InChIInChI=1S/C10H8BrFN2O2/c11-9-7(3-4-15)13-8-2-1-6(12)5-14(8)10(9)16/h1-2,5,15H,3-4H2
InChIKeyRYOVTEFNQDEWAX-UHFFFAOYSA-N
XLogP1.13
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one (CID 67510341) is 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(Br)c(CCO)nc2ccc(F)cn12.
What is the InChIKey of 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RYOVTEFNQDEWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c11-9-7(3-4-15)13-8-2-1-6(12)5-14(8)10(9)16/h1-2,5,15H,3-4H2.
What are the key properties of 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one?
3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.09 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67510341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).