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

C15H12F3NO3 — CID 167442844

IUPAC2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
SMILESCOc1ncc(-c2cccc(CC(=O)O)c2)cc1C(F)(F)F
InChIInChI=1S/C15H12F3NO3/c1-22-14-12(15(16,17)18)7-11(8-19-14)10-4-2-3-9(5-10)6-13(20)21/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyRMJBRKBHKORWSD-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.40
Rot. Bonds4

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

2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid (PubChem CID 167442844) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
PubChem CID167442844
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
SMILESCOc1ncc(-c2cccc(CC(=O)O)c2)cc1C(F)(F)F
InChIInChI=1S/C15H12F3NO3/c1-22-14-12(15(16,17)18)7-11(8-19-14)10-4-2-3-9(5-10)6-13(20)21/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyRMJBRKBHKORWSD-UHFFFAOYSA-N
XLogP3.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-methoxy-3-[3-[2-(trifluoromethyl)phenoxy]prop-1-ynyl]phenyl]phenyl]acetic acid
CID 68634480
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
CID 59803473
4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 167442924
2-[3-[3-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoxy]phenyl]phenyl]acetic acid
CID 91236588
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid (CID 167442844) is 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid is COc1ncc(-c2cccc(CC(=O)O)c2)cc1C(F)(F)F.
What is the InChIKey of 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid?
The InChIKey is RMJBRKBHKORWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-22-14-12(15(16,17)18)7-11(8-19-14)10-4-2-3-9(5-10)6-13(20)21/h2-5,7-8H,6H2,1H3,(H,20,21).
What are the key properties of 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid?
2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid has a molecular weight of 311.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid is sourced from PubChem (CID 167442844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).