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

C9H7N3O3 — CID 83882180

IUPAC7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESCc1ccn2c(C=O)nc([N+](=O)[O-])c2c1
InChIInChI=1S/C9H7N3O3/c1-6-2-3-11-7(4-6)9(12(14)15)10-8(11)5-13/h2-5H,1H3
InChIKeyGZFHDVMJWSZQOL-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.36
Rot. Bonds2

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

7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 83882180) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
PubChem CID83882180
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESCc1ccn2c(C=O)nc([N+](=O)[O-])c2c1
InChIInChI=1S/C9H7N3O3/c1-6-2-3-11-7(4-6)9(12(14)15)10-8(11)5-13/h2-5H,1H3
InChIKeyGZFHDVMJWSZQOL-UHFFFAOYSA-N
XLogP1.36
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.36
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]pyridin-3-yl)methanamine
CID 83882695
3-ethyl-1-nitroimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83888534
3-methyl-7-nitropyrido[1,2-a]benzimidazole
CID 2972009
7-chloro-1-nitroimidazo[1,5-a]pyridin-3-amine
CID 83885850
2-chloro-7-methyl-3-nitroimidazo[1,2-a]pyridine
CID 28945252
2-[(E)-but-2-enyl]-8-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 101103833
3-(1-formyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84740926
ethyl (E)-2-methyl-3-(8-methyl-3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)prop-2-enoate
CID 11278538
3,7-dimethylimidazo[1,5-a]pyridine-1-sulfonyl chloride
CID 112552051
dimethyl 7-methyl-1-nitroindolizine-2,3-dicarboxylate
CID 139235406
1-chloro-6-methylimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83879178

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde (CID 83882180) is 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde is Cc1ccn2c(C=O)nc([N+](=O)[O-])c2c1.
What is the InChIKey of 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is GZFHDVMJWSZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-6-2-3-11-7(4-6)9(12(14)15)10-8(11)5-13/h2-5H,1H3.
What are the key properties of 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde?
7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 205.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-nitroimidazo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 83882180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).