2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid

C15H9F6NO2 — CID 134628859

IUPAC2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F6NO2/c16-14(17,18)9-5-8(6-12(23)24)13(22-7-9)10-3-1-2-4-11(10)15(19,20)21/h1-5,7H,6H2,(H,23,24)
InChIKeyUIHAKOFHKRQYTB-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.41
Rot. Bonds3

About 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid

2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid (PubChem CID 134628859) has the molecular formula C15H9F6NO2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
PubChem CID134628859
Molecular FormulaC15H9F6NO2
Molecular Weight349.23 g/mol
Exact Mass349.05
IUPAC Name2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F6NO2/c16-14(17,18)9-5-8(6-12(23)24)13(22-7-9)10-3-1-2-4-11(10)15(19,20)21/h1-5,7H,6H2,(H,23,24)
InChIKeyUIHAKOFHKRQYTB-UHFFFAOYSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118830660
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118819248
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092047
2-[3,5-dichloro-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623598
5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 134629150
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 133089659
2-[6-chloro-5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 119022927
4-[2-phenyl-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 68842446
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118808116
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid (CID 134628859) is 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)(F)F)cnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid?
The InChIKey is UIHAKOFHKRQYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO2/c16-14(17,18)9-5-8(6-12(23)24)13(22-7-9)10-3-1-2-4-11(10)15(19,20)21/h1-5,7H,6H2,(H,23,24).
What are the key properties of 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid?
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid has a molecular weight of 349.23 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid is sourced from PubChem (CID 134628859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).