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

C12H9F3N2O — CID 135788303

IUPAC3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESNc1cccc(O)c1-c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)7-4-5-17-9(6-7)11-8(16)2-1-3-10(11)18/h1-6,18H,16H2
InChIKeyXUHOPIGPEVONII-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.06
Rot. Bonds1

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

3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 135788303) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID135788303
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESNc1cccc(O)c1-c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)7-4-5-17-9(6-7)11-8(16)2-1-3-10(11)18/h1-6,18H,16H2
InChIKeyXUHOPIGPEVONII-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'}

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Related Compounds

2-(2-methyl-6-phenylphenyl)-4-(trifluoromethyl)pyridine
CID 138974124
6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
CID 163399751
2-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 164673721
2-(2-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 175224381
[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidenehydrazine
CID 168531320
N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
3-amino-2-(3-fluorophenyl)phenol
CID 22173848
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104742636
2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium
CID 59005755

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol (CID 135788303) is 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol is Nc1cccc(O)c1-c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is XUHOPIGPEVONII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)7-4-5-17-9(6-7)11-8(16)2-1-3-10(11)18/h1-6,18H,16H2.
What are the key properties of 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol?
3-amino-2-[4-(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 3-amino-2-[4-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 135788303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).