8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid

C9H7N3O4 — CID 112547843

IUPAC8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cccn2c([N+](=O)[O-])c(C(=O)O)nc12
InChIInChI=1S/C9H7N3O4/c1-5-3-2-4-11-7(5)10-6(9(13)14)8(11)12(15)16/h2-4H,1H3,(H,13,14)
InChIKeyBUGPAMANCDRQMO-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.25
Rot. Bonds2

About 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid

8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 112547843) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID112547843
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cccn2c([N+](=O)[O-])c(C(=O)O)nc12
InChIInChI=1S/C9H7N3O4/c1-5-3-2-4-11-7(5)10-6(9(13)14)8(11)12(15)16/h2-4H,1H3,(H,13,14)
InChIKeyBUGPAMANCDRQMO-UHFFFAOYSA-N
XLogP1.25
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid (CID 112547843) is 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid is Cc1cccn2c([N+](=O)[O-])c(C(=O)O)nc12.
What is the InChIKey of 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is BUGPAMANCDRQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c1-5-3-2-4-11-7(5)10-6(9(13)14)8(11)12(15)16/h2-4H,1H3,(H,13,14).
What are the key properties of 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid?
8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 221.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 112547843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).