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

C20H15N5O8 — CID 19234050

IUPAC2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
SMILESCOc1ccccc1-c1cn2ccccc2n1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O.C6H3N3O7/c1-17-13-7-3-2-6-11(13)12-10-16-9-5-4-8-14(16)15-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10H,1H3;1-2,10H
InChIKeyRCBHKSDFVUGDAW-UHFFFAOYSA-N
MW453.37 g/mol
LogP4.13
Rot. Bonds5

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

2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol (PubChem CID 19234050) has the molecular formula C20H15N5O8 and a molecular weight of 453.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
PubChem CID19234050
Molecular FormulaC20H15N5O8
Molecular Weight453.37 g/mol
Exact Mass453.09
IUPAC Name2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
SMILESCOc1ccccc1-c1cn2ccccc2n1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O.C6H3N3O7/c1-17-13-7-3-2-6-11(13)12-10-16-9-5-4-8-14(16)15-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10H,1H3;1-2,10H
InChIKeyRCBHKSDFVUGDAW-UHFFFAOYSA-N
XLogP4.13
TPSA176.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 54.13
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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Related Compounds

2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234073
2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234056
2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234074
(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate
CID 135030601
2-chloro-6-(2-methoxyphenyl)-4-nitropyridine
CID 114070923
2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234062
2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 3098373
3-(2,5-dimethoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 121148931
N-(2-methoxyphenyl)-2,4,5,7-tetranitrofluoren-9-imine
CID 59920571
(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 121148960
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
1-[5-(2-methoxyphenyl)-2-nitrophenyl]-4-nitropyrazole-3-carboxamide
CID 175087835

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The IUPAC name of 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol (CID 19234050) is 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol.
What is the SMILES notation for 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The canonical SMILES for 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol is COc1ccccc1-c1cn2ccccc2n1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The InChIKey is RCBHKSDFVUGDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C6H3N3O7/c1-17-13-7-3-2-6-11(13)12-10-16-9-5-4-8-14(16)15-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10H,1H3;1-2,10H.
What are the key properties of 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol has a molecular weight of 453.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol is sourced from PubChem (CID 19234050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).