2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine

C13H8ClN3O2 — CID 57338731

IUPAC2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(-c2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C13H8ClN3O2/c14-10-5-3-4-9(8-10)12-13(17(18)19)16-7-2-1-6-11(16)15-12/h1-8H
InChIKeyMVSKWZFXCGKASU-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.56
Rot. Bonds2

About 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine

2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine (PubChem CID 57338731) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
PubChem CID57338731
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(-c2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C13H8ClN3O2/c14-10-5-3-4-9(8-10)12-13(17(18)19)16-7-2-1-6-11(16)15-12/h1-8H
InChIKeyMVSKWZFXCGKASU-UHFFFAOYSA-N
XLogP3.56
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.56
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

3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 122403866
N-tert-butyl-2-(3-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 809106
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 1124710
4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278225
5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine
CID 71388944
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
3-(3-chlorophenyl)sulfanyl-2-phenylimidazo[1,2-a]pyridine
CID 138982066
3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine
CID 166214220
N-benzyl-2-[4-(3-chlorophenyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 42601069
2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566512

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine (CID 57338731) is 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1c(-c2cccc(Cl)c2)nc2ccccn12.
What is the InChIKey of 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine?
The InChIKey is MVSKWZFXCGKASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-5-3-4-9(8-10)12-13(17(18)19)16-7-2-1-6-11(16)15-12/h1-8H.
What are the key properties of 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine?
2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine has a molecular weight of 273.68 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 57338731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).