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

C15H13N3O — CID 44726067

IUPAC7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3cc(C)ccn3c2N=O)cc1
InChIInChI=1S/C15H13N3O/c1-10-3-5-12(6-4-10)14-15(17-19)18-8-7-11(2)9-13(18)16-14/h3-9H,1-2H3
InChIKeyXOSIPHWUJXTJCF-UHFFFAOYSA-N
MW251.29 g/mol
LogP4.02
Rot. Bonds2

About 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine

7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 44726067) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID44726067
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3cc(C)ccn3c2N=O)cc1
InChIInChI=1S/C15H13N3O/c1-10-3-5-12(6-4-10)14-15(17-19)18-8-7-11(2)9-13(18)16-14/h3-9H,1-2H3
InChIKeyXOSIPHWUJXTJCF-UHFFFAOYSA-N
XLogP4.02
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (CID 44726067) is 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is Cc1ccc(-c2nc3cc(C)ccn3c2N=O)cc1.
What is the InChIKey of 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is XOSIPHWUJXTJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-3-5-12(6-4-10)14-15(17-19)18-8-7-11(2)9-13(18)16-14/h3-9H,1-2H3.
What are the key properties of 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 251.29 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 44726067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).