4-[(3-nitro-2-pyridinyl)amino]phenol

C11H9N3O3 — CID 15175081

IUPAC4-[(3-nitro-2-pyridinyl)amino]phenol
SMILESO=[N+]([O-])c1cccnc1Nc1ccc(O)cc1
InChIInChI=1S/C11H9N3O3/c15-9-5-3-8(4-6-9)13-11-10(14(16)17)2-1-7-12-11/h1-7,15H,(H,12,13)
InChIKeyJXFQQBURVUFYSH-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.44
Rot. Bonds3

About 4-[(3-nitro-2-pyridinyl)amino]phenol

4-[(3-nitro-2-pyridinyl)amino]phenol (PubChem CID 15175081) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-[(3-nitro-2-pyridinyl)amino]phenol.

Molecular Properties

Compound Name4-[(3-nitro-2-pyridinyl)amino]phenol
PubChem CID15175081
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name4-[(3-nitro-2-pyridinyl)amino]phenol
SMILESO=[N+]([O-])c1cccnc1Nc1ccc(O)cc1
InChIInChI=1S/C11H9N3O3/c15-9-5-3-8(4-6-9)13-11-10(14(16)17)2-1-7-12-11/h1-7,15H,(H,12,13)
InChIKeyJXFQQBURVUFYSH-UHFFFAOYSA-N
XLogP2.44
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitro-2-pyridinyl)amino]phenol?
The IUPAC name of 4-[(3-nitro-2-pyridinyl)amino]phenol (CID 15175081) is 4-[(3-nitro-2-pyridinyl)amino]phenol.
What is the SMILES notation for 4-[(3-nitro-2-pyridinyl)amino]phenol?
The canonical SMILES for 4-[(3-nitro-2-pyridinyl)amino]phenol is O=[N+]([O-])c1cccnc1Nc1ccc(O)cc1.
What is the InChIKey of 4-[(3-nitro-2-pyridinyl)amino]phenol?
The InChIKey is JXFQQBURVUFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-9-5-3-8(4-6-9)13-11-10(14(16)17)2-1-7-12-11/h1-7,15H,(H,12,13).
What are the key properties of 4-[(3-nitro-2-pyridinyl)amino]phenol?
4-[(3-nitro-2-pyridinyl)amino]phenol has a molecular weight of 231.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitro-2-pyridinyl)amino]phenol is sourced from PubChem (CID 15175081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).