4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde

C9H11N3O3 — CID 83107477

IUPAC4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde
SMILESCN(C)Nc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3/c1-11(2)10-8-4-3-7(6-13)5-9(8)12(14)15/h3-6,10H,1-2H3
InChIKeyGYACRZJNHGUZMS-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.30
Rot. Bonds4

About 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde

4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde (PubChem CID 83107477) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde
PubChem CID83107477
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde
SMILESCN(C)Nc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3/c1-11(2)10-8-4-3-7(6-13)5-9(8)12(14)15/h3-6,10H,1-2H3
InChIKeyGYACRZJNHGUZMS-UHFFFAOYSA-N
XLogP1.30
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
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

4-(3-methylbutan-2-ylamino)-3-nitrobenzaldehyde
CID 78906939
3-nitro-4-(pentan-3-ylamino)benzaldehyde
CID 78907021
2-(4-fluoro-2-nitrophenyl)-1,1-dimethylhydrazine
CID 114449270
4-[(1-methylcyclobutyl)amino]-3-nitrobenzaldehyde
CID 113485606
N-(4-formyl-2-nitrophenyl)propanamide
CID 57037732
4-(2-methylsulfanylethylamino)-3-nitrobenzaldehyde
CID 78906942
4-(2,2-dimethylhydrazinyl)-3-nitrobenzoic acid
CID 83015837
4-(1,3-dihydroxypropan-2-ylamino)-3-nitrobenzaldehyde
CID 83108306
3-nitro-4-(octylamino)benzaldehyde
CID 83108802
4-(2-methoxypropylamino)-3-nitrobenzaldehyde
CID 102699055
4-(4-hydroxybutan-2-ylamino)-3-nitrobenzaldehyde
CID 83187762
4-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-nitrobenzaldehyde
CID 9184277

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde (CID 83107477) is 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde is CN(C)Nc1ccc(C=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde?
The InChIKey is GYACRZJNHGUZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-11(2)10-8-4-3-7(6-13)5-9(8)12(14)15/h3-6,10H,1-2H3.
What are the key properties of 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde?
4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde has a molecular weight of 209.21 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde is sourced from PubChem (CID 83107477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).