2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

C14H10F3NO2 — CID 67508250

IUPAC2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccnc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-3-1-10(2-4-11)12-7-9(5-6-18-12)8-13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyZNNXBKULWNICAR-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.39
Rot. Bonds3

About 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (PubChem CID 67508250) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
PubChem CID67508250
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccnc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-3-1-10(2-4-11)12-7-9(5-6-18-12)8-13(19)20/h1-7H,8H2,(H,19,20)
InChIKeyZNNXBKULWNICAR-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (CID 67508250) is 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is O=C(O)Cc1ccnc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is ZNNXBKULWNICAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)11-3-1-10(2-4-11)12-7-9(5-6-18-12)8-13(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid has a molecular weight of 281.23 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 67508250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).