5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde

C15H14N2O4 — CID 162352486

IUPAC5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde
SMILESCN(C)c1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O4/c1-16(2)13-5-3-10(4-6-13)11-7-12(9-18)15(19)14(8-11)17(20)21/h3-9,19H,1-2H3
InChIKeyFLTKJRZAESZAMT-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.85
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde

5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde (PubChem CID 162352486) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde
PubChem CID162352486
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde
SMILESCN(C)c1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O4/c1-16(2)13-5-3-10(4-6-13)11-7-12(9-18)15(19)14(8-11)17(20)21/h3-9,19H,1-2H3
InChIKeyFLTKJRZAESZAMT-UHFFFAOYSA-N
XLogP2.85
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.85
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'}

Analyze 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-formyl-4-hydroxy-5-nitrophenyl)-N,N-dimethylbenzamide
CID 59599864
5-(4-ethoxyphenyl)-2-hydroxy-3-nitrobenzaldehyde
CID 162352490
2-hydroxy-5-(1-methylpyrazol-4-yl)-3-nitrobenzaldehyde
CID 59599812
2,3-dihydroxy-4-methyl-5-nitrobenzaldehyde
CID 175215295
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
4-benzyl-2-[[4-(dimethylamino)phenyl]iminomethyl]-6-nitrophenol
CID 3587878
5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde
CID 89357003
2-nitro-5-(4-nitrophenyl)benzaldehyde
CID 178001755
5-benzyl-2-hydroxy-3-nitrobenzaldehyde
CID 871077
2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde
CID 59599931
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,4-dinitrophenyl]ethenyl]-N,N-dimethylaniline
CID 6178371
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde (CID 162352486) is 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde is CN(C)c1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde?
The InChIKey is FLTKJRZAESZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-16(2)13-5-3-10(4-6-13)11-7-12(9-18)15(19)14(8-11)17(20)21/h3-9,19H,1-2H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde?
5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde has a molecular weight of 286.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-2-hydroxy-3-nitrobenzaldehyde is sourced from PubChem (CID 162352486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).