4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride

C12H11ClF3NO — CID 141000136

IUPAC4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride
SMILESCl.OC1(c2ccccc2C(F)(F)F)C=CN=CC1
InChIInChI=1S/C12H10F3NO.ClH/c13-12(14,15)10-4-2-1-3-9(10)11(17)5-7-16-8-6-11;/h1-5,7-8,17H,6H2;1H
InChIKeyUQDASUOFEULQAN-UHFFFAOYSA-N
MW277.67 g/mol
LogP3.30
Rot. Bonds1

About 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride

4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride (PubChem CID 141000136) has the molecular formula C12H11ClF3NO and a molecular weight of 277.67 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride
PubChem CID141000136
Molecular FormulaC12H11ClF3NO
Molecular Weight277.67 g/mol
Exact Mass277.05
IUPAC Name4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride
SMILESCl.OC1(c2ccccc2C(F)(F)F)C=CN=CC1
InChIInChI=1S/C12H10F3NO.ClH/c13-12(14,15)10-4-2-1-3-9(10)11(17)5-7-16-8-6-11;/h1-5,7-8,17H,6H2;1H
InChIKeyUQDASUOFEULQAN-UHFFFAOYSA-N
XLogP3.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride (CID 141000136) is 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride is Cl.OC1(c2ccccc2C(F)(F)F)C=CN=CC1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride?
The InChIKey is UQDASUOFEULQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO.ClH/c13-12(14,15)10-4-2-1-3-9(10)11(17)5-7-16-8-6-11;/h1-5,7-8,17H,6H2;1H.
What are the key properties of 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride?
4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride has a molecular weight of 277.67 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-ol;hydrochloride is sourced from PubChem (CID 141000136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).