2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol

C21H17N5O8 — CID 19234073

IUPAC2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
SMILESCOc1ccccc1-c1cn2ccc(C)cc2n1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O.C6H3N3O7/c1-11-7-8-17-10-13(16-15(17)9-11)12-5-3-4-6-14(12)18-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-10H,1-2H3;1-2,10H
InChIKeyKXPBPTNCXAUXCI-UHFFFAOYSA-N
MW467.39 g/mol
LogP4.44
Rot. Bonds5

About 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol

2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol (PubChem CID 19234073) has the molecular formula C21H17N5O8 and a molecular weight of 467.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
PubChem CID19234073
Molecular FormulaC21H17N5O8
Molecular Weight467.39 g/mol
Exact Mass467.11
IUPAC Name2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
SMILESCOc1ccccc1-c1cn2ccc(C)cc2n1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O.C6H3N3O7/c1-11-7-8-17-10-13(16-15(17)9-11)12-5-3-4-6-14(12)18-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-10H,1-2H3;1-2,10H
InChIKeyKXPBPTNCXAUXCI-UHFFFAOYSA-N
XLogP4.44
TPSA176.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The IUPAC name of 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol (CID 19234073) is 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol.
What is the SMILES notation for 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The canonical SMILES for 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol is COc1ccccc1-c1cn2ccc(C)cc2n1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The InChIKey is KXPBPTNCXAUXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.C6H3N3O7/c1-11-7-8-17-10-13(16-15(17)9-11)12-5-3-4-6-14(12)18-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-10H,1-2H3;1-2,10H.
What are the key properties of 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol has a molecular weight of 467.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol is sourced from PubChem (CID 19234073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).