2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine

C16H15N3O3 — CID 3098373

IUPAC2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
SMILESCCCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c1-2-9-22-15-7-6-12(10-14(15)19(20)21)13-11-18-8-4-3-5-16(18)17-13/h3-8,10-11H,2,9H2,1H3
InChIKeyCAMTZVIHNVNLPM-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.70
Rot. Bonds5

About 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine

2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 3098373) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID3098373
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
SMILESCCCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c1-2-9-22-15-7-6-12(10-14(15)19(20)21)13-11-18-8-4-3-5-16(18)17-13/h3-8,10-11H,2,9H2,1H3
InChIKeyCAMTZVIHNVNLPM-UHFFFAOYSA-N
XLogP3.70
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine
CID 1204461
2-(3-nitro-4-propoxyphenyl)-1H-benzimidazole
CID 110538737
2-[6-(4-ethoxy-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3652230
4-bromo-2-nitro-1-propoxybenzene
CID 61373992
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234056
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 45134937
2-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234050
2-(3-amino-4-propoxyphenyl)imidazo[1,2-a]pyridin-8-ol
CID 82059691
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
4-ethoxy-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbenzenesulfonamide
CID 122284141
6-methyl-2-(3-nitro-4-propoxyphenyl)-1H-benzimidazole
CID 110538074

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine (CID 3098373) is 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine is CCCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is CAMTZVIHNVNLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-9-22-15-7-6-12(10-14(15)19(20)21)13-11-18-8-4-3-5-16(18)17-13/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine?
2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 297.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 3098373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).