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

C12H7ClF3NO — CID 71178848

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESOc1cncc(-c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C12H7ClF3NO/c13-11-2-1-7(4-10(11)12(14,15)16)8-3-9(18)6-17-5-8/h1-6,18H
InChIKeyBNWZSUDCWZKNKT-UHFFFAOYSA-N
MW273.64 g/mol
LogP4.13
Rot. Bonds1

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

5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol (PubChem CID 71178848) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol
PubChem CID71178848
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESOc1cncc(-c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C12H7ClF3NO/c13-11-2-1-7(4-10(11)12(14,15)16)8-3-9(18)6-17-5-8/h1-6,18H
InChIKeyBNWZSUDCWZKNKT-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 54.13
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]pyridin-3-ol?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol (CID 71178848) is 5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol is Oc1cncc(-c2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol?
The InChIKey is BNWZSUDCWZKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-11-2-1-7(4-10(11)12(14,15)16)8-3-9(18)6-17-5-8/h1-6,18H.
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol?
5-[4-chloro-3-(trifluoromethyl)phenyl]pyridin-3-ol has a molecular weight of 273.64 g/mol, XLogP of 4.13, 1 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]pyridin-3-ol is sourced from PubChem (CID 71178848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).