2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid

C15H9F6NO3 — CID 134628691

IUPAC2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C15H9F6NO3/c16-14(17,18)11-5-9(7-22-12(11)6-13(23)24)8-1-3-10(4-2-8)25-15(19,20)21/h1-5,7H,6H2,(H,23,24)
InChIKeyGJJTZTWAQYYZGQ-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.29
Rot. Bonds4

About 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid

2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134628691) has the molecular formula C15H9F6NO3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134628691
Molecular FormulaC15H9F6NO3
Molecular Weight365.23 g/mol
Exact Mass365.05
IUPAC Name2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C15H9F6NO3/c16-14(17,18)11-5-9(7-22-12(11)6-13(23)24)8-1-3-10(4-2-8)25-15(19,20)21/h1-5,7H,6H2,(H,23,24)
InChIKeyGJJTZTWAQYYZGQ-UHFFFAOYSA-N
XLogP4.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134683635
2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098319
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-[6-[[6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-3-pyridinyl]methoxy]indol-1-yl]acetic acid
CID 11214389
2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 134633857
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314255

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 134628691) is 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is GJJTZTWAQYYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO3/c16-14(17,18)11-5-9(7-22-12(11)6-13(23)24)8-1-3-10(4-2-8)25-15(19,20)21/h1-5,7H,6H2,(H,23,24).
What are the key properties of 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 365.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134628691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).