3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine

C12H7FN4O2 — CID 164834369

IUPAC3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine
SMILESO=[N+]([O-])c1ccc(-c2cnc3cnccn23)c(F)c1
InChIInChI=1S/C12H7FN4O2/c13-10-5-8(17(18)19)1-2-9(10)11-6-15-12-7-14-3-4-16(11)12/h1-7H
InChIKeyCAMVKIXSBJWIOG-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.44
Rot. Bonds2

About 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine

3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine (PubChem CID 164834369) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine
PubChem CID164834369
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine
SMILESO=[N+]([O-])c1ccc(-c2cnc3cnccn23)c(F)c1
InChIInChI=1S/C12H7FN4O2/c13-10-5-8(17(18)19)1-2-9(10)11-6-15-12-7-14-3-4-16(11)12/h1-7H
InChIKeyCAMVKIXSBJWIOG-UHFFFAOYSA-N
XLogP2.44
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine
CID 66714730
3-imidazo[1,2-a]pyrazin-3-ylthiophene-2-carboxylic acid
CID 82385228
3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine
CID 157020249
2-(2-fluoro-5-nitrophenyl)pyrimidine
CID 22473571
3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
CID 22473560
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
N-(2-fluoro-4-nitrophenyl)pyridin-4-amine
CID 157044044
3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoro-4-nitrophenyl)pyridin-2-amine
CID 176582753
[1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol
CID 166178500
1-(4-nitrophenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 141185817
4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
CID 59852937
2-fluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-4-nitroaniline
CID 133376629

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine (CID 164834369) is 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine is O=[N+]([O-])c1ccc(-c2cnc3cnccn23)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine?
The InChIKey is CAMVKIXSBJWIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-10-5-8(17(18)19)1-2-9(10)11-6-15-12-7-14-3-4-16(11)12/h1-7H.
What are the key properties of 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine?
3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine has a molecular weight of 258.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-nitrophenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 164834369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).