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

C16H15N3O2 — CID 82356459

IUPAC2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2N=O)c(C)c1
InChIInChI=1S/C16H15N3O2/c1-10-4-7-14-17-15(16(18-20)19(14)9-10)13-6-5-12(21-3)8-11(13)2/h4-9H,1-3H3
InChIKeyVCXABUBWLPMHHJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.02
Rot. Bonds3

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

2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356459) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356459
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2N=O)c(C)c1
InChIInChI=1S/C16H15N3O2/c1-10-4-7-14-17-15(16(18-20)19(14)9-10)13-6-5-12(21-3)8-11(13)2/h4-9H,1-3H3
InChIKeyVCXABUBWLPMHHJ-UHFFFAOYSA-N
XLogP4.02
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356466
2-(2,4-dimethylphenyl)-6-fluoro-3-nitrosoimidazo[1,2-a]pyridine
CID 82356789
2-(2,4-dimethoxyphenyl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356383
6-methyl-3-nitroso-2-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 82356422
6-chloro-2-(5-chloro-2-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 95967161
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 55248194
3-[(4-methoxy-2-methylphenyl)methyl]-6-methyl-2-phenylimidazo[1,2-a]pyridine
CID 51359385
6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356749
2-(2,5-dimethoxyphenyl)-8-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356316
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233
3-(1-chloroethyl)-2-(2,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029821

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine (CID 82356459) is 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(C)cn3c2N=O)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is VCXABUBWLPMHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-4-7-14-17-15(16(18-20)19(14)9-10)13-6-5-12(21-3)8-11(13)2/h4-9H,1-3H3.
What are the key properties of 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine?
2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 281.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)-6-methyl-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).