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

C8H6ClN3O2 — CID 11020190

IUPAC2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(CCl)nc2ccccn12
InChIInChI=1S/C8H6ClN3O2/c9-5-6-8(12(13)14)11-4-2-1-3-7(11)10-6/h1-4H,5H2
InChIKeyINTSNKHYSRQDPZ-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.98
Rot. Bonds2

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

2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine (PubChem CID 11020190) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine
PubChem CID11020190
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(CCl)nc2ccccn12
InChIInChI=1S/C8H6ClN3O2/c9-5-6-8(12(13)14)11-4-2-1-3-7(11)10-6/h1-4H,5H2
InChIKeyINTSNKHYSRQDPZ-UHFFFAOYSA-N
XLogP1.98
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine (CID 11020190) is 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1c(CCl)nc2ccccn12.
What is the InChIKey of 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine?
The InChIKey is INTSNKHYSRQDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-5-6-8(12(13)14)11-4-2-1-3-7(11)10-6/h1-4H,5H2.
What are the key properties of 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine?
2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine has a molecular weight of 211.61 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 11020190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).