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

C12H9F3N2O — CID 135788312

IUPAC3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
SMILESNc1cccc(O)c1-c1ncccc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)7-3-2-6-17-11(7)10-8(16)4-1-5-9(10)18/h1-6,18H,16H2
InChIKeyLRVKZUUBXYCMLI-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.06
Rot. Bonds1

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

3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 135788312) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID135788312
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
SMILESNc1cccc(O)c1-c1ncccc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)7-3-2-6-17-11(7)10-8(16)4-1-5-9(10)18/h1-6,18H,16H2
InChIKeyLRVKZUUBXYCMLI-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol (CID 135788312) is 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol is Nc1cccc(O)c1-c1ncccc1C(F)(F)F.
What is the InChIKey of 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is LRVKZUUBXYCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)7-3-2-6-17-11(7)10-8(16)4-1-5-9(10)18/h1-6,18H,16H2.
What are the key properties of 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol?
3-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 3-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 135788312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).