6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine

C13H7FN4O3 — CID 82356743

IUPAC6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESO=Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(F)cn12
InChIInChI=1S/C13H7FN4O3/c14-9-3-6-11-15-12(13(16-19)17(11)7-9)8-1-4-10(5-2-8)18(20)21/h1-7H
InChIKeyOXNMTPAALCUQHX-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.45
Rot. Bonds3

About 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine

6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356743) has the molecular formula C13H7FN4O3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356743
Molecular FormulaC13H7FN4O3
Molecular Weight286.22 g/mol
Exact Mass286.05
IUPAC Name6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESO=Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(F)cn12
InChIInChI=1S/C13H7FN4O3/c14-9-3-6-11-15-12(13(16-19)17(11)7-9)8-1-4-10(5-2-8)18(20)21/h1-7H
InChIKeyOXNMTPAALCUQHX-UHFFFAOYSA-N
XLogP3.45
TPSA89.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(4-fluorophenyl)-3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 95967166
6-fluoro-3-nitroso-2-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 82356752
6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356749
5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356477
6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 67546543
2-(2,4-dimethylphenyl)-6-fluoro-3-nitrosoimidazo[1,2-a]pyridine
CID 82356789
6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356825
2-(4-chlorophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 63616952
6-chloro-2-(4-nitrophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023754
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878850
2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 69376666

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine (CID 82356743) is 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine is O=Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(F)cn12.
What is the InChIKey of 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is OXNMTPAALCUQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O3/c14-9-3-6-11-15-12(13(16-19)17(11)7-9)8-1-4-10(5-2-8)18(20)21/h1-7H.
What are the key properties of 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine?
6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 286.22 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).