3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde

C10H9N3O3 — CID 83888534

IUPAC3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde
SMILESCCc1nc([N+](=O)[O-])c2cc(C=O)ccn12
InChIInChI=1S/C10H9N3O3/c1-2-9-11-10(13(15)16)8-5-7(6-14)3-4-12(8)9/h3-6H,2H2,1H3
InChIKeyAYPZZFAHJCLYPW-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.62
Rot. Bonds3

About 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde

3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 83888534) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde
PubChem CID83888534
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde
SMILESCCc1nc([N+](=O)[O-])c2cc(C=O)ccn12
InChIInChI=1S/C10H9N3O3/c1-2-9-11-10(13(15)16)8-5-7(6-14)3-4-12(8)9/h3-6H,2H2,1H3
InChIKeyAYPZZFAHJCLYPW-UHFFFAOYSA-N
XLogP1.62
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83892272
7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83882180
7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine
CID 83885850
1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine
CID 83889324
2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83889798
4-(4-ethylpiperazin-1-yl)-3-nitrobenzaldehyde
CID 39118723
3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83840045
5-chloro-2-ethyl-4-nitro-1-propylimidazole
CID 902054
3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 112552199
1-ethyl-2-oxopyridine-4-carbaldehyde
CID 105429532
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
4-[(1-methylimidazol-2-yl)methoxy]-3-nitrobenzaldehyde
CID 43326878

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde (CID 83888534) is 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde is CCc1nc([N+](=O)[O-])c2cc(C=O)ccn12.
What is the InChIKey of 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is AYPZZFAHJCLYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-2-9-11-10(13(15)16)8-5-7(6-14)3-4-12(8)9/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde?
3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 219.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 83888534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).