2-methyl-6-nitroimidazo[1,2-a]pyridine

C8H7N3O2 — CID 821069

IUPAC2-methyl-6-nitroimidazo[1,2-a]pyridine
SMILESCc1cn2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C8H7N3O2/c1-6-4-10-5-7(11(12)13)2-3-8(10)9-6/h2-5H,1H3
InChIKeyNAMUPNJGITWKBV-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.55
Rot. Bonds1

About 2-methyl-6-nitroimidazo[1,2-a]pyridine

2-methyl-6-nitroimidazo[1,2-a]pyridine (PubChem CID 821069) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-methyl-6-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-6-nitroimidazo[1,2-a]pyridine
PubChem CID821069
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-methyl-6-nitroimidazo[1,2-a]pyridine
SMILESCc1cn2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C8H7N3O2/c1-6-4-10-5-7(11(12)13)2-3-8(10)9-6/h2-5H,1H3
InChIKeyNAMUPNJGITWKBV-UHFFFAOYSA-N
XLogP1.55
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-6-nitroimidazo[1,2-a]pyridine (CID 821069) is 2-methyl-6-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-6-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-6-nitroimidazo[1,2-a]pyridine is Cc1cn2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-methyl-6-nitroimidazo[1,2-a]pyridine?
The InChIKey is NAMUPNJGITWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-6-4-10-5-7(11(12)13)2-3-8(10)9-6/h2-5H,1H3.
What are the key properties of 2-methyl-6-nitroimidazo[1,2-a]pyridine?
2-methyl-6-nitroimidazo[1,2-a]pyridine has a molecular weight of 177.16 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 821069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).