2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine

C15H13N3O4 — CID 3300645

IUPAC2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1OC
InChIInChI=1S/C15H13N3O4/c1-21-13-5-3-10(7-14(13)22-2)12-9-17-8-11(18(19)20)4-6-15(17)16-12/h3-9H,1-2H3
InChIKeyHYEWLNNRLGPCAR-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.93
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine

2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine (PubChem CID 3300645) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine
PubChem CID3300645
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1OC
InChIInChI=1S/C15H13N3O4/c1-21-13-5-3-10(7-14(13)22-2)12-9-17-8-11(18(19)20)4-6-15(17)16-12/h3-9H,1-2H3
InChIKeyHYEWLNNRLGPCAR-UHFFFAOYSA-N
XLogP2.93
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine (CID 3300645) is 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine is COc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine?
The InChIKey is HYEWLNNRLGPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-21-13-5-3-10(7-14(13)22-2)12-9-17-8-11(18(19)20)4-6-15(17)16-12/h3-9H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine?
2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine has a molecular weight of 299.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 3300645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).