8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile

C7H5FN4 — CID 126573765

IUPAC8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnc2n1CC=CN2F
InChIInChI=1S/C7H5FN4/c8-12-3-1-2-11-6(4-9)5-10-7(11)12/h1,3,5H,2H2
InChIKeyCYRNTAXWIWTCBT-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.97
Rot. Bonds

About 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile

8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 126573765) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile
PubChem CID126573765
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnc2n1CC=CN2F
InChIInChI=1S/C7H5FN4/c8-12-3-1-2-11-6(4-9)5-10-7(11)12/h1,3,5H,2H2
InChIKeyCYRNTAXWIWTCBT-UHFFFAOYSA-N
XLogP0.97
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile (CID 126573765) is 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile is N#Cc1cnc2n1CC=CN2F.
What is the InChIKey of 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is CYRNTAXWIWTCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-12-3-1-2-11-6(4-9)5-10-7(11)12/h1,3,5H,2H2.
What are the key properties of 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile?
8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 164.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 126573765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).