2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

C13H7F2N3O — CID 82300921

IUPAC2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2F)nc2ncccn12
InChIInChI=1S/C13H7F2N3O/c14-8-2-3-9(10(15)6-8)12-11(7-19)18-5-1-4-16-13(18)17-12/h1-7H
InChIKeyKNPHBXFTLSMGPQ-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.49
Rot. Bonds2

About 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 82300921) has the molecular formula C13H7F2N3O and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID82300921
Molecular FormulaC13H7F2N3O
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2F)nc2ncccn12
InChIInChI=1S/C13H7F2N3O/c14-8-2-3-9(10(15)6-8)12-11(7-19)18-5-1-4-16-13(18)17-12/h1-7H
InChIKeyKNPHBXFTLSMGPQ-UHFFFAOYSA-N
XLogP2.49
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 15502894
2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 82307318
2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 82135013
2-(2,4-difluorophenyl)indolizine-3-carbaldehyde
CID 3833627
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82299531
3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 69375800
2-(2,4-difluorophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 101404163
3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 24746039
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]propan-1-amine
CID 170879132
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 82300921) is 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(-c2ccc(F)cc2F)nc2ncccn12.
What is the InChIKey of 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is KNPHBXFTLSMGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O/c14-8-2-3-9(10(15)6-8)12-11(7-19)18-5-1-4-16-13(18)17-12/h1-7H.
What are the key properties of 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde?
2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 259.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 82300921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).