5-(3-aminoanilino)-2-nitrophenol

C12H11N3O3 — CID 118874786

IUPAC5-(3-aminoanilino)-2-nitrophenol
SMILESNc1cccc(Nc2ccc([N+](=O)[O-])c(O)c2)c1
InChIInChI=1S/C12H11N3O3/c13-8-2-1-3-9(6-8)14-10-4-5-11(15(17)18)12(16)7-10/h1-7,14,16H,13H2
InChIKeyMFOLXTFVMLAZAJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.63
Rot. Bonds3

About 5-(3-aminoanilino)-2-nitrophenol

5-(3-aminoanilino)-2-nitrophenol (PubChem CID 118874786) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-(3-aminoanilino)-2-nitrophenol.

Molecular Properties

Compound Name5-(3-aminoanilino)-2-nitrophenol
PubChem CID118874786
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-(3-aminoanilino)-2-nitrophenol
SMILESNc1cccc(Nc2ccc([N+](=O)[O-])c(O)c2)c1
InChIInChI=1S/C12H11N3O3/c13-8-2-1-3-9(6-8)14-10-4-5-11(15(17)18)12(16)7-10/h1-7,14,16H,13H2
InChIKeyMFOLXTFVMLAZAJ-UHFFFAOYSA-N
XLogP2.63
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

3-N-(3-ethoxy-4-nitrophenyl)benzene-1,3-diamine
CID 63670571
6-N-(3-aminophenyl)-3-nitropyridine-2,6-diamine
CID 79825461
4-(3-aminoanilino)-3-nitrobenzamide
CID 43448379
2-nitro-4-N-phenylbenzene-1,4-diamine
CID 20831862
3-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 79173832
3-amino-N-(3-bromo-4-nitrophenyl)benzamide
CID 82864982
N-(3-aminophenyl)nitramide;sulfuric acid
CID 172741058
3-N-[6-(4-methylpiperazin-1-yl)-3-nitro-2-pyridinyl]benzene-1,3-diamine
CID 67995022
1-N-naphthalen-2-yl-4-nitrobenzene-1,3-diamine
CID 106751534
1-N,3-N-bis(2,6-dinitrophenyl)benzene-1,3-diamine
CID 102533464
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
3-(3-amino-2,4,6-trinitroanilino)phenol
CID 3808908

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoanilino)-2-nitrophenol?
The IUPAC name of 5-(3-aminoanilino)-2-nitrophenol (CID 118874786) is 5-(3-aminoanilino)-2-nitrophenol.
What is the SMILES notation for 5-(3-aminoanilino)-2-nitrophenol?
The canonical SMILES for 5-(3-aminoanilino)-2-nitrophenol is Nc1cccc(Nc2ccc([N+](=O)[O-])c(O)c2)c1.
What is the InChIKey of 5-(3-aminoanilino)-2-nitrophenol?
The InChIKey is MFOLXTFVMLAZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-8-2-1-3-9(6-8)14-10-4-5-11(15(17)18)12(16)7-10/h1-7,14,16H,13H2.
What are the key properties of 5-(3-aminoanilino)-2-nitrophenol?
5-(3-aminoanilino)-2-nitrophenol has a molecular weight of 245.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoanilino)-2-nitrophenol is sourced from PubChem (CID 118874786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).