2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid

C15H12F3NO4 — CID 134631328

IUPAC2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)cc2)c(CC(=O)O)n1
InChIInChI=1S/C15H12F3NO4/c1-22-13-7-6-11(12(19-13)8-14(20)21)9-2-4-10(5-3-9)23-15(16,17)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyHMOZYEQIJPVPOV-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.28
Rot. Bonds5

About 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid

2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid (PubChem CID 134631328) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
PubChem CID134631328
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)cc2)c(CC(=O)O)n1
InChIInChI=1S/C15H12F3NO4/c1-22-13-7-6-11(12(19-13)8-14(20)21)9-2-4-10(5-3-9)23-15(16,17)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyHMOZYEQIJPVPOV-UHFFFAOYSA-N
XLogP3.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134669973
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid
CID 105423505
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089210
2-[3,6-bis[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623890
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid
CID 118827528
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid (CID 134631328) is 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid is COc1ccc(-c2ccc(OC(F)(F)F)cc2)c(CC(=O)O)n1.
What is the InChIKey of 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid?
The InChIKey is HMOZYEQIJPVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-22-13-7-6-11(12(19-13)8-14(20)21)9-2-4-10(5-3-9)23-15(16,17)18/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid?
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid has a molecular weight of 327.26 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid is sourced from PubChem (CID 134631328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).