7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde

C7H4FN3O — CID 55268183

IUPAC7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2nc(F)ccn12
InChIInChI=1S/C7H4FN3O/c8-6-1-2-11-5(4-12)3-9-7(11)10-6/h1-4H
InChIKeyLEXXLZZBBRSTJO-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.68
Rot. Bonds1

About 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde

7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 55268183) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID55268183
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2nc(F)ccn12
InChIInChI=1S/C7H4FN3O/c8-6-1-2-11-5(4-12)3-9-7(11)10-6/h1-4H
InChIKeyLEXXLZZBBRSTJO-UHFFFAOYSA-N
XLogP0.68
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 55268183) is 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1cnc2nc(F)ccn12.
What is the InChIKey of 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is LEXXLZZBBRSTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-6-1-2-11-5(4-12)3-9-7(11)10-6/h1-4H.
What are the key properties of 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 165.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 55268183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).