2-(2,3-dinitroanilino)phenol

C12H9N3O5 — CID 174683921

IUPAC2-(2,3-dinitroanilino)phenol
SMILESO=[N+]([O-])c1cccc(Nc2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O5/c16-11-7-2-1-4-8(11)13-9-5-3-6-10(14(17)18)12(9)15(19)20/h1-7,13,16H
InChIKeyNYEGBYNQRSMZDD-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.95
Rot. Bonds4

About 2-(2,3-dinitroanilino)phenol

2-(2,3-dinitroanilino)phenol (PubChem CID 174683921) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-(2,3-dinitroanilino)phenol.

Molecular Properties

Compound Name2-(2,3-dinitroanilino)phenol
PubChem CID174683921
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Name2-(2,3-dinitroanilino)phenol
SMILESO=[N+]([O-])c1cccc(Nc2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O5/c16-11-7-2-1-4-8(11)13-9-5-3-6-10(14(17)18)12(9)15(19)20/h1-7,13,16H
InChIKeyNYEGBYNQRSMZDD-UHFFFAOYSA-N
XLogP2.95
TPSA118.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

N-methyl-2,3-dinitroaniline
CID 12620251
2-(4-nitroanilino)phenol
CID 14224817
N-nitronitramide;1,2,3-trinitrobenzene
CID 175346850
2,3-dinitrophenol;2,3,4-trinitrophenol
CID 88658203
2,3-dinitrophenol;1H-pyrrole
CID 141490929
2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenol
CID 3128188
hydrazine;1,2,3-trinitrobenzene
CID 174855794
2-(2,3-dinitroanilino)ethene-1,1,2-tricarbonitrile
CID 168610866
methanol;2-nitrophenol
CID 157303764
disodium;hydride;2-nitrophenol
CID 174745512
lead(2+);2-nitrobenzene-1,3-diol
CID 21125062
2-[[2-(2-hydroxyanilino)-5-nitropyrimidin-4-yl]amino]phenol
CID 3615474

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dinitroanilino)phenol?
The IUPAC name of 2-(2,3-dinitroanilino)phenol (CID 174683921) is 2-(2,3-dinitroanilino)phenol.
What is the SMILES notation for 2-(2,3-dinitroanilino)phenol?
The canonical SMILES for 2-(2,3-dinitroanilino)phenol is O=[N+]([O-])c1cccc(Nc2ccccc2O)c1[N+](=O)[O-].
What is the InChIKey of 2-(2,3-dinitroanilino)phenol?
The InChIKey is NYEGBYNQRSMZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-11-7-2-1-4-8(11)13-9-5-3-6-10(14(17)18)12(9)15(19)20/h1-7,13,16H.
What are the key properties of 2-(2,3-dinitroanilino)phenol?
2-(2,3-dinitroanilino)phenol has a molecular weight of 275.22 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dinitroanilino)phenol is sourced from PubChem (CID 174683921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).