2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol

C12H8F3NO2 — CID 175417791

IUPAC2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol
SMILESOc1cnc(-c2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)8-3-1-7(2-4-8)11-10(18)5-9(17)6-16-11/h1-6,17-18H
InChIKeyKZGVUBMYBLRNSS-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.18
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol

2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol (PubChem CID 175417791) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol
PubChem CID175417791
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol
SMILESOc1cnc(-c2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)8-3-1-7(2-4-8)11-10(18)5-9(17)6-16-11/h1-6,17-18H
InChIKeyKZGVUBMYBLRNSS-UHFFFAOYSA-N
XLogP3.18
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridinol, 5-benzyl-
CID 796726
NoName_714
CID 135489221
2-(4-(Tert-butyl)phenyl)pyridin-3-ol hydrochloride
CID 16192568
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-
CID 744728
2-Phenyl-3-pyridinol
CID 18705
4-(Pyridin-2-ylmethyl)phenol
CID 603599
trans-6-[1-Ethyl-2-(4-hydroxy-phenyl)-propyl]-pyridin-3-ol
CID 44224542
trans-6-[1-Ethyl-2-(4-hydroxy-phenyl)-butyl]-pyridin-3-ol
CID 44224544
6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol
CID 44227600
5-[(4-Methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-3-ol;hydrochloride
CID 44522341
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol (CID 175417791) is 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol is Oc1cnc(-c2ccc(C(F)(F)F)cc2)c(O)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol?
The InChIKey is KZGVUBMYBLRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)8-3-1-7(2-4-8)11-10(18)5-9(17)6-16-11/h1-6,17-18H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol?
2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol has a molecular weight of 255.19 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol is sourced from PubChem (CID 175417791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).