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

C20H14ClN5O7 — CID 19234062

IUPAC2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
SMILESCc1ccn2cc(-c3ccc(Cl)cc3)nc2c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11ClN2.C6H3N3O7/c1-10-6-7-17-9-13(16-14(17)8-10)11-2-4-12(15)5-3-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-9H,1H3;1-2,10H
InChIKeyMOMUROJLTHNBJY-UHFFFAOYSA-N
MW471.81 g/mol
LogP5.08
Rot. Bonds4

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

2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol (PubChem CID 19234062) has the molecular formula C20H14ClN5O7 and a molecular weight of 471.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
PubChem CID19234062
Molecular FormulaC20H14ClN5O7
Molecular Weight471.81 g/mol
Exact Mass471.06
IUPAC Name2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
SMILESCc1ccn2cc(-c3ccc(Cl)cc3)nc2c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11ClN2.C6H3N3O7/c1-10-6-7-17-9-13(16-14(17)8-10)11-2-4-12(15)5-3-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-9H,1H3;1-2,10H
InChIKeyMOMUROJLTHNBJY-UHFFFAOYSA-N
XLogP5.08
TPSA166.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The IUPAC name of 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol (CID 19234062) is 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The canonical SMILES for 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol is Cc1ccn2cc(-c3ccc(Cl)cc3)nc2c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The InChIKey is MOMUROJLTHNBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2.C6H3N3O7/c1-10-6-7-17-9-13(16-14(17)8-10)11-2-4-12(15)5-3-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-9H,1H3;1-2,10H.
What are the key properties of 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol has a molecular weight of 471.81 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol is sourced from PubChem (CID 19234062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).