4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol

C12H10F3N3O — CID 28846983

IUPAC4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol
SMILESNc1ncc(C(F)(F)F)cc1Nc1ccc(O)cc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-5-10(11(16)17-6-7)18-8-1-3-9(19)4-2-8/h1-6,18-19H,(H2,16,17)
InChIKeyTVLMTKRIOULUED-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.13
Rot. Bonds2

About 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol

4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol (PubChem CID 28846983) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol.

Molecular Properties

Compound Name4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol
PubChem CID28846983
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol
SMILESNc1ncc(C(F)(F)F)cc1Nc1ccc(O)cc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-5-10(11(16)17-6-7)18-8-1-3-9(19)4-2-8/h1-6,18-19H,(H2,16,17)
InChIKeyTVLMTKRIOULUED-UHFFFAOYSA-N
XLogP3.13
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol?
The IUPAC name of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol (CID 28846983) is 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol.
What is the SMILES notation for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol?
The canonical SMILES for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol is Nc1ncc(C(F)(F)F)cc1Nc1ccc(O)cc1.
What is the InChIKey of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol?
The InChIKey is TVLMTKRIOULUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)7-5-10(11(16)17-6-7)18-8-1-3-9(19)4-2-8/h1-6,18-19H,(H2,16,17).
What are the key properties of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol?
4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol has a molecular weight of 269.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol is sourced from PubChem (CID 28846983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).