9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one

C10H8FIN2O2 — CID 154932804

IUPAC9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1cc(=O)n2cc(I)cc(F)c2n1
InChIInChI=1S/C10H8FIN2O2/c1-16-5-7-3-9(15)14-4-6(12)2-8(11)10(14)13-7/h2-4H,5H2,1H3
InChIKeyNFMNZBXLEFYGAB-UHFFFAOYSA-N
MW334.09 g/mol
LogP1.58
Rot. Bonds2

About 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one

9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 154932804) has the molecular formula C10H8FIN2O2 and a molecular weight of 334.09 g/mol. Its IUPAC name is 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID154932804
Molecular FormulaC10H8FIN2O2
Molecular Weight334.09 g/mol
Exact Mass333.96
IUPAC Name9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1cc(=O)n2cc(I)cc(F)c2n1
InChIInChI=1S/C10H8FIN2O2/c1-16-5-7-3-9(15)14-4-6(12)2-8(11)10(14)13-7/h2-4H,5H2,1H3
InChIKeyNFMNZBXLEFYGAB-UHFFFAOYSA-N
XLogP1.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 154932804) is 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one is COCc1cc(=O)n2cc(I)cc(F)c2n1.
What is the InChIKey of 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NFMNZBXLEFYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN2O2/c1-16-5-7-3-9(15)14-4-6(12)2-8(11)10(14)13-7/h2-4H,5H2,1H3.
What are the key properties of 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one?
9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 334.09 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-7-iodo-2-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154932804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).