2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one

C10H9FN2O — CID 118544476

IUPAC2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C10H9FN2O/c1-2-8-5-10(14)13-6-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
InChIKeyKSUKWRHWSCERAD-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.40
Rot. Bonds1

About 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one

2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 118544476) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID118544476
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C10H9FN2O/c1-2-8-5-10(14)13-6-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
InChIKeyKSUKWRHWSCERAD-UHFFFAOYSA-N
XLogP1.40
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,9-dimethyl-3-ethyl-, monohydrochloride
CID 3062164
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 2434823
3-Chloro-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 740856
3-Ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 12527405
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
6-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529103

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 118544476) is 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one is CCc1cc(=O)n2cc(F)ccc2n1.
What is the InChIKey of 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KSUKWRHWSCERAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-8-5-10(14)13-6-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one?
2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 192.19 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118544476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).