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

C14H10ClN3O2 — CID 82029732

IUPAC3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3ccccn3c2CCl)c1
InChIInChI=1S/C14H10ClN3O2/c15-9-12-14(16-13-6-1-2-7-17(12)13)10-4-3-5-11(8-10)18(19)20/h1-8H,9H2
InChIKeyDRPSWVDIJZQUOQ-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.65
Rot. Bonds3

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

3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 82029732) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID82029732
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3ccccn3c2CCl)c1
InChIInChI=1S/C14H10ClN3O2/c15-9-12-14(16-13-6-1-2-7-17(12)13)10-4-3-5-11(8-10)18(19)20/h1-8H,9H2
InChIKeyDRPSWVDIJZQUOQ-UHFFFAOYSA-N
XLogP3.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 122403866
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
1-[[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7023786
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
CID 57338731
4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278225
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 1124710
[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
[5-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199238
3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
CID 39132933

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine (CID 82029732) is 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1cccc(-c2nc3ccccn3c2CCl)c1.
What is the InChIKey of 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is DRPSWVDIJZQUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-9-12-14(16-13-6-1-2-7-17(12)13)10-4-3-5-11(8-10)18(19)20/h1-8H,9H2.
What are the key properties of 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 287.71 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 82029732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).