2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid

C14H8F5NO2 — CID 133089566

IUPAC2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(-c2cccc(C(F)(F)F)c2)c(F)cc1F
InChIInChI=1S/C14H8F5NO2/c15-9-5-10(16)13(20-11(9)6-12(21)22)7-2-1-3-8(4-7)14(17,18)19/h1-5H,6H2,(H,21,22)
InChIKeyBOZGIWIBBQKBBD-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.67
Rot. Bonds3

About 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid

2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid (PubChem CID 133089566) has the molecular formula C14H8F5NO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
PubChem CID133089566
Molecular FormulaC14H8F5NO2
Molecular Weight317.21 g/mol
Exact Mass317.05
IUPAC Name2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(-c2cccc(C(F)(F)F)c2)c(F)cc1F
InChIInChI=1S/C14H8F5NO2/c15-9-5-10(16)13(20-11(9)6-12(21)22)7-2-1-3-8(4-7)14(17,18)19/h1-5H,6H2,(H,21,22)
InChIKeyBOZGIWIBBQKBBD-UHFFFAOYSA-N
XLogP3.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2,3,5-trifluoro-6-[3-(trifluoromethyl)phenyl]pyridine
CID 118803789
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 3492218
2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623609
tert-butyl 2-[(2-chlorophenyl)methyl]-5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 70304347
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134627169
2-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 4200420
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid (CID 133089566) is 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid is O=C(O)Cc1nc(-c2cccc(C(F)(F)F)c2)c(F)cc1F.
What is the InChIKey of 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The InChIKey is BOZGIWIBBQKBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO2/c15-9-5-10(16)13(20-11(9)6-12(21)22)7-2-1-3-8(4-7)14(17,18)19/h1-5H,6H2,(H,21,22).
What are the key properties of 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid has a molecular weight of 317.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid is sourced from PubChem (CID 133089566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).