5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol

C14H11ClF3NO — CID 71178864

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol
SMILESCCc1ncc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1O
InChIInChI=1S/C14H11ClF3NO/c1-2-12-13(20)6-9(7-19-12)8-3-4-11(15)10(5-8)14(16,17)18/h3-7,20H,2H2,1H3
InChIKeyLYFSQTITLOXVQP-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.69
Rot. Bonds2

About 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol

5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol (PubChem CID 71178864) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol
PubChem CID71178864
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol
SMILESCCc1ncc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1O
InChIInChI=1S/C14H11ClF3NO/c1-2-12-13(20)6-9(7-19-12)8-3-4-11(15)10(5-8)14(16,17)18/h3-7,20H,2H2,1H3
InChIKeyLYFSQTITLOXVQP-UHFFFAOYSA-N
XLogP4.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol (CID 71178864) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol is CCc1ncc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1O.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol?
The InChIKey is LYFSQTITLOXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-2-12-13(20)6-9(7-19-12)8-3-4-11(15)10(5-8)14(16,17)18/h3-7,20H,2H2,1H3.
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol?
5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol has a molecular weight of 301.70 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethylpyridin-3-ol is sourced from PubChem (CID 71178864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).