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

C8H4ClN3O3 — CID 83892272

IUPAC7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1nc([N+](=O)[O-])c2cc(Cl)ccn12
InChIInChI=1S/C8H4ClN3O3/c9-5-1-2-11-6(3-5)8(12(14)15)10-7(11)4-13/h1-4H
InChIKeyDVJFQBDWKMVMHW-UHFFFAOYSA-N
MW225.59 g/mol
LogP1.71
Rot. Bonds2

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

7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 83892272) has the molecular formula C8H4ClN3O3 and a molecular weight of 225.59 g/mol. Its IUPAC name is 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
PubChem CID83892272
Molecular FormulaC8H4ClN3O3
Molecular Weight225.59 g/mol
Exact Mass224.99
IUPAC Name7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1nc([N+](=O)[O-])c2cc(Cl)ccn12
InChIInChI=1S/C8H4ClN3O3/c9-5-1-2-11-6(3-5)8(12(14)15)10-7(11)4-13/h1-4H
InChIKeyDVJFQBDWKMVMHW-UHFFFAOYSA-N
XLogP1.71
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.59
LogP ≤ 51.71
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-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83882180
7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine
CID 83885850
3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83888534
2,7-dichloroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82530134
6-chloro-1-methylbenzimidazole-2-carbaldehyde
CID 45078056
7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 139488260
1-chloro-6-methylimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83879178
7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343145
4-chloro-2-nitropyridine
CID 2762847
1-bromo-7-chloro-3-methylimidazo[1,5-a]pyridine
CID 83900011
2-(4-chloropyrazol-1-yl)-5-nitrobenzaldehyde
CID 54909354
8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115045432

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde (CID 83892272) is 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde is O=Cc1nc([N+](=O)[O-])c2cc(Cl)ccn12.
What is the InChIKey of 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is DVJFQBDWKMVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O3/c9-5-1-2-11-6(3-5)8(12(14)15)10-7(11)4-13/h1-4H.
What are the key properties of 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde?
7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 225.59 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 83892272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).