2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine

C19H17N3O4 — CID 175171738

IUPAC2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine
SMILESNc1ccccc1Nc1ccccc1.O=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H12N2.C7H5NO4/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;9-4-5-3-6(8(11)12)1-2-7(5)10/h1-9,14H,13H2;1-4,10H
InChIKeyLALFADIRGARFQX-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.13
Rot. Bonds4

About 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine

2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine (PubChem CID 175171738) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine
PubChem CID175171738
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine
SMILESNc1ccccc1Nc1ccccc1.O=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H12N2.C7H5NO4/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;9-4-5-3-6(8(11)12)1-2-7(5)10/h1-9,14H,13H2;1-4,10H
InChIKeyLALFADIRGARFQX-UHFFFAOYSA-N
XLogP4.13
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine 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

2-N-(4-nitrophenyl)benzene-1,2-diamine
CID 13095074
2-(4-nitroanilino)phenol
CID 14224817
2-[(2-anilino-5-nitrophenyl)iminomethyl]-4-bromophenol
CID 135764877
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772
2-(4-chloroanilino)-5-nitrobenzaldehyde
CID 12858732
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
2-(2-amino-4-nitroanilino)benzonitrile
CID 62506951
2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride
CID 19771126
2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
2-amino-5-anilinobenzaldehyde
CID 154532798
N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide
CID 71470924

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine?
The IUPAC name of 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine (CID 175171738) is 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine is Nc1ccccc1Nc1ccccc1.O=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine?
The InChIKey is LALFADIRGARFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C7H5NO4/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;9-4-5-3-6(8(11)12)1-2-7(5)10/h1-9,14H,13H2;1-4,10H.
What are the key properties of 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine?
2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine has a molecular weight of 351.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 175171738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).