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

C15H12FN3O2 — CID 82356749

IUPAC6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(F)cn3c2N=O)cc1C
InChIInChI=1S/C15H12FN3O2/c1-9-7-10(3-5-12(9)21-2)14-15(18-20)19-8-11(16)4-6-13(19)17-14/h3-8H,1-2H3
InChIKeyMCDQUAUEGSTDRF-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.86
Rot. Bonds3

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

6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356749) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356749
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(F)cn3c2N=O)cc1C
InChIInChI=1S/C15H12FN3O2/c1-9-7-10(3-5-12(9)21-2)14-15(18-20)19-8-11(16)4-6-13(19)17-14/h3-8H,1-2H3
InChIKeyMCDQUAUEGSTDRF-UHFFFAOYSA-N
XLogP3.86
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(4-fluoro-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356825
2-(2,4-dimethylphenyl)-6-fluoro-3-nitrosoimidazo[1,2-a]pyridine
CID 82356789
6-fluoro-3-nitroso-2-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 82356752
2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356466
6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356743
[2-(3,4-dimethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060633
2-(4-fluorophenyl)-3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 95967166
2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356275
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768
2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356459
2-[6-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530532
[2-(3,4-dimethylphenyl)-3-nitrosoimidazo[1,2-a]pyridin-7-yl]methanol
CID 82356628

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (CID 82356749) is 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(F)cn3c2N=O)cc1C.
What is the InChIKey of 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is MCDQUAUEGSTDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-9-7-10(3-5-12(9)21-2)14-15(18-20)19-8-11(16)4-6-13(19)17-14/h3-8H,1-2H3.
What are the key properties of 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 285.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).