1-nitroimidazo[1,5-a]pyridine-6-carboximidamide

C8H7N5O2 — CID 83882201

IUPAC1-nitroimidazo[1,5-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c([N+](=O)[O-])ncn2c1
InChIInChI=1S/C8H7N5O2/c9-7(10)5-1-2-6-8(13(14)15)11-4-12(6)3-5/h1-4H,(H3,9,10)
InChIKeySZPWJQKXMXDYHG-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.53
Rot. Bonds2

About 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide

1-nitroimidazo[1,5-a]pyridine-6-carboximidamide (PubChem CID 83882201) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide.

Molecular Properties

Compound Name1-nitroimidazo[1,5-a]pyridine-6-carboximidamide
PubChem CID83882201
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name1-nitroimidazo[1,5-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c([N+](=O)[O-])ncn2c1
InChIInChI=1S/C8H7N5O2/c9-7(10)5-1-2-6-8(13(14)15)11-4-12(6)3-5/h1-4H,(H3,9,10)
InChIKeySZPWJQKXMXDYHG-UHFFFAOYSA-N
XLogP0.53
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
CID 83873033
6-methylimidazo[1,5-a]pyridine-1-carboximidamide
CID 83874294
2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol
CID 83890433
1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc
CID 87650974
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
1-hydroxy-6-oxopyridine-3-carboximidamide
CID 174553744
6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide
CID 171526735
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
4-[(3-nitrophenoxy)methyl]benzenecarboximidamide
CID 61032290
6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61031687
N'-hydroxy-1-methylimidazo[1,5-a]pyridine-6-carboximidamide
CID 83877446

Frequently Asked Questions

What is the IUPAC name of 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide?
The IUPAC name of 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide (CID 83882201) is 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide.
What is the SMILES notation for 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide?
The canonical SMILES for 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide is [H]/N=C(\N)c1ccc2c([N+](=O)[O-])ncn2c1.
What is the InChIKey of 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide?
The InChIKey is SZPWJQKXMXDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-7(10)5-1-2-6-8(13(14)15)11-4-12(6)3-5/h1-4H,(H3,9,10).
What are the key properties of 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide?
1-nitroimidazo[1,5-a]pyridine-6-carboximidamide has a molecular weight of 205.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroimidazo[1,5-a]pyridine-6-carboximidamide is sourced from PubChem (CID 83882201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).