3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine

C15H13N3O2 — CID 115403762

IUPAC3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(C)n2c1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-14-16-15(11(2)17(14)9-10)12-4-3-5-13(8-12)18(19)20/h3-9H,1-2H3
InChIKeyQYEYXGDRLLGMOF-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.53
Rot. Bonds2

About 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine

3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 115403762) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID115403762
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(C)n2c1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-14-16-15(11(2)17(14)9-10)12-4-3-5-13(8-12)18(19)20/h3-9H,1-2H3
InChIKeyQYEYXGDRLLGMOF-UHFFFAOYSA-N
XLogP3.53
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.53
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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Related Compounds

[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759949
3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 122403866
1-[2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 91664382
6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 67546543
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617091
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 170882697
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 55248194
(4-methylphenyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83288876

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine (CID 115403762) is 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine is Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(C)n2c1.
What is the InChIKey of 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is QYEYXGDRLLGMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-7-14-16-15(11(2)17(14)9-10)12-4-3-5-13(8-12)18(19)20/h3-9H,1-2H3.
What are the key properties of 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 267.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 115403762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).