3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid

C9H7N3O4 — CID 84740352

IUPAC3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1nc(C(=O)O)c2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C9H7N3O4/c1-5-10-8(9(13)14)7-3-2-6(12(15)16)4-11(5)7/h2-4H,1H3,(H,13,14)
InChIKeyHKRRZLVHZASMQM-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.25
Rot. Bonds2

About 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid

3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84740352) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84740352
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1nc(C(=O)O)c2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C9H7N3O4/c1-5-10-8(9(13)14)7-3-2-6(12(15)16)4-11(5)7/h2-4H,1H3,(H,13,14)
InChIKeyHKRRZLVHZASMQM-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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Related Compounds

2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872601
7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid
CID 14067489
2-methyl-6-nitroimidazo[2,1-b][1,3]benzothiazole
CID 137320011
3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 84742707
4-nitrobenzoic acid;trimethylsilane
CID 175438853
N-methyl-1-(3-methyl-1-nitroimidazo[1,5-a]pyridin-6-yl)methanamine
CID 83889314
1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
CID 170088316
2-methyl-5-nitroindole-1-carboxylic acid
CID 22603625
1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83844047
6-hydroxy-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251391
cesium;hydride;4-nitrobenzoic acid
CID 174438488
6-ethyl-N,N,3-trimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 112552046

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 84740352) is 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1nc(C(=O)O)c2ccc([N+](=O)[O-])cn12.
What is the InChIKey of 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HKRRZLVHZASMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c1-5-10-8(9(13)14)7-3-2-6(12(15)16)4-11(5)7/h2-4H,1H3,(H,13,14).
What are the key properties of 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-methyl-6-nitroimidazo[1,5-a]pyridine-1-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 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84740352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).