7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine

C14H11N3O2 — CID 2763968

IUPAC7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3cccc([N+](=O)[O-])c3)nc2c1
InChIInChI=1S/C14H11N3O2/c1-10-5-6-16-9-13(15-14(16)7-10)11-3-2-4-12(8-11)17(18)19/h2-9H,1H3
InChIKeyZJQYLKVDBSTLMC-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.22
Rot. Bonds2

About 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine

7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 2763968) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID2763968
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3cccc([N+](=O)[O-])c3)nc2c1
InChIInChI=1S/C14H11N3O2/c1-10-5-6-16-9-13(15-14(16)7-10)11-3-2-4-12(8-11)17(18)19/h2-9H,1H3
InChIKeyZJQYLKVDBSTLMC-UHFFFAOYSA-N
XLogP3.22
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine (CID 2763968) is 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine is Cc1ccn2cc(-c3cccc([N+](=O)[O-])c3)nc2c1.
What is the InChIKey of 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is ZJQYLKVDBSTLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-5-6-16-9-13(15-14(16)7-10)11-3-2-4-12(8-11)17(18)19/h2-9H,1H3.
What are the key properties of 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 253.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 2763968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).