2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

C9H6ClFN2O — CID 66831359

IUPAC2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCl)nc2ccc(F)cn12
InChIInChI=1S/C9H6ClFN2O/c10-4-7-3-9(14)13-5-6(11)1-2-8(13)12-7/h1-3,5H,4H2
InChIKeyRMWGRWFBYDQTBD-UHFFFAOYSA-N
MW212.61 g/mol
LogP1.57
Rot. Bonds1

About 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 66831359) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID66831359
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCl)nc2ccc(F)cn12
InChIInChI=1S/C9H6ClFN2O/c10-4-7-3-9(14)13-5-6(11)1-2-8(13)12-7/h1-3,5H,4H2
InChIKeyRMWGRWFBYDQTBD-UHFFFAOYSA-N
XLogP1.57
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 94959
7-Bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 776362
7-chloro-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 4413815
2,7-dichloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 7131618
2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 5155027
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2-(chloromethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 776367
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
2-(chloromethyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2454948
8-bromo-2-(chloromethyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 146050186
3-chloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2774831

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 66831359) is 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCl)nc2ccc(F)cn12.
What is the InChIKey of 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RMWGRWFBYDQTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-4-7-3-9(14)13-5-6(11)1-2-8(13)12-7/h1-3,5H,4H2.
What are the key properties of 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 212.61 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66831359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).