7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one

C9H7IN2O — CID 20583259

IUPAC7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2ccc(I)cn2c1=O
InChIInChI=1S/C9H7IN2O/c1-6-4-11-8-3-2-7(10)5-12(8)9(6)13/h2-5H,1H3
InChIKeyMJTGMKWFDCWRGM-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.61
Rot. Bonds

About 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one

7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 20583259) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID20583259
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2ccc(I)cn2c1=O
InChIInChI=1S/C9H7IN2O/c1-6-4-11-8-3-2-7(10)5-12(8)9(6)13/h2-5H,1H3
InChIKeyMJTGMKWFDCWRGM-UHFFFAOYSA-N
XLogP1.61
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 20583259) is 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cnc2ccc(I)cn2c1=O.
What is the InChIKey of 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MJTGMKWFDCWRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-6-4-11-8-3-2-7(10)5-12(8)9(6)13/h2-5H,1H3.
What are the key properties of 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.07 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 20583259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).