2-fluoropyrido[1,2-a]pyrimidin-4-one

C8H5FN2O — CID 141381188

IUPAC2-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(F)nc2ccccn12
InChIInChI=1S/C8H5FN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h1-5H
InChIKeyQMDIVYZSWOBFHL-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.83
Rot. Bonds

About 2-fluoropyrido[1,2-a]pyrimidin-4-one

2-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 141381188) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID141381188
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name2-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(F)nc2ccccn12
InChIInChI=1S/C8H5FN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h1-5H
InChIKeyQMDIVYZSWOBFHL-UHFFFAOYSA-N
XLogP0.83
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 94959
4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2-Hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135413477
2,7-dichloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 7131618
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2H-pyrido[1,2-a]pyrimidin-2-one
CID 423945
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
2-methoxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 638805
7-bromo-2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 3614131
8-Bromo-4H-pyrido(1,2-a)pyrimidin-4-one
CID 83892083
7-fluoro-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 136629818

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-fluoropyrido[1,2-a]pyrimidin-4-one (CID 141381188) is 2-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-fluoropyrido[1,2-a]pyrimidin-4-one is O=c1cc(F)nc2ccccn12.
What is the InChIKey of 2-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QMDIVYZSWOBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h1-5H.
What are the key properties of 2-fluoropyrido[1,2-a]pyrimidin-4-one?
2-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 164.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141381188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).