3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol

C18H13F3N2O — CID 155562820

IUPAC3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol
SMILESNc1ncc(-c2cccc(O)c2)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)14-5-1-4-12(7-14)16-9-13(10-23-17(16)22)11-3-2-6-15(24)8-11/h1-10,24H,(H2,22,23)
InChIKeyQOHZMKVWPBZGOU-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.72
Rot. Bonds2

About 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol

3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol (PubChem CID 155562820) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol
PubChem CID155562820
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol
SMILESNc1ncc(-c2cccc(O)c2)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)14-5-1-4-12(7-14)16-9-13(10-23-17(16)22)11-3-2-6-15(24)8-11/h1-10,24H,(H2,22,23)
InChIKeyQOHZMKVWPBZGOU-UHFFFAOYSA-N
XLogP4.72
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol?
The IUPAC name of 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol (CID 155562820) is 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol.
What is the SMILES notation for 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol?
The canonical SMILES for 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol is Nc1ncc(-c2cccc(O)c2)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol?
The InChIKey is QOHZMKVWPBZGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)14-5-1-4-12(7-14)16-9-13(10-23-17(16)22)11-3-2-6-15(24)8-11/h1-10,24H,(H2,22,23).
What are the key properties of 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol?
3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol has a molecular weight of 330.31 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenol is sourced from PubChem (CID 155562820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).