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

C12H9F3N2O — CID 154216867

IUPAC4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
SMILESNc1ccc(O)c(-c2ncccc2C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)9-2-1-5-17-11(9)8-6-7(16)3-4-10(8)18/h1-6,18H,16H2
InChIKeyCFPCYDKFKWYBGG-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.06
Rot. Bonds1

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

4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 154216867) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID154216867
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
SMILESNc1ccc(O)c(-c2ncccc2C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)9-2-1-5-17-11(9)8-6-7(16)3-4-10(8)18/h1-6,18H,16H2
InChIKeyCFPCYDKFKWYBGG-UHFFFAOYSA-N
XLogP3.06
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[2-methyl-3-[3-(trifluoromethyl)-2-pyridinyl]-3H-1,2,4-oxadiazol-5-yl]phenol
CID 142975923
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
2-(2,3-difluorophenyl)-3-(trifluoromethyl)pyridine
CID 170837725
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
CID 161358571
2-[2-(trifluoromethyl)-3-pyridinyl]benzene-1,4-diamine
CID 18415378
4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
CID 159042611
4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
CID 936032
3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 58947587
2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
CID 59811149
2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 158171851
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol (CID 154216867) is 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol is Nc1ccc(O)c(-c2ncccc2C(F)(F)F)c1.
What is the InChIKey of 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is CFPCYDKFKWYBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)9-2-1-5-17-11(9)8-6-7(16)3-4-10(8)18/h1-6,18H,16H2.
What are the key properties of 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol?
4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 254.21 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 154216867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).