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

C12H10F3N3O — CID 28847029

IUPAC3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol
SMILESNc1ncc(C(F)(F)F)cc1Nc1cccc(O)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-4-10(11(16)17-6-7)18-8-2-1-3-9(19)5-8/h1-6,18-19H,(H2,16,17)
InChIKeyCKNLJAIMGFCBCH-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.13
Rot. Bonds2

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

3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol (PubChem CID 28847029) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol.

Molecular Properties

Compound Name3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol
PubChem CID28847029
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol
SMILESNc1ncc(C(F)(F)F)cc1Nc1cccc(O)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-4-10(11(16)17-6-7)18-8-2-1-3-9(19)5-8/h1-6,18-19H,(H2,16,17)
InChIKeyCKNLJAIMGFCBCH-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol?
The IUPAC name of 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol (CID 28847029) is 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol.
What is the SMILES notation for 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol?
The canonical SMILES for 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol is Nc1ncc(C(F)(F)F)cc1Nc1cccc(O)c1.
What is the InChIKey of 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol?
The InChIKey is CKNLJAIMGFCBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)7-4-10(11(16)17-6-7)18-8-2-1-3-9(19)5-8/h1-6,18-19H,(H2,16,17).
What are the key properties of 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol?
3-[[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 3-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]phenol is sourced from PubChem (CID 28847029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).