3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

C14H10F3NO3 — CID 61395439

IUPAC3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESCc1cccc(C(=O)O)c1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO3/c1-8-4-2-5-9(13(19)20)11(8)21-12-10(14(15,16)17)6-3-7-18-12/h2-7H,1H3,(H,19,20)
InChIKeyKEEDVKXGHAVMCF-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.90
Rot. Bonds3

About 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (PubChem CID 61395439) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
PubChem CID61395439
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESCc1cccc(C(=O)O)c1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO3/c1-8-4-2-5-9(13(19)20)11(8)21-12-10(14(15,16)17)6-3-7-18-12/h2-7H,1H3,(H,19,20)
InChIKeyKEEDVKXGHAVMCF-UHFFFAOYSA-N
XLogP3.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61396049
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
3-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450092
3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid
CID 107305796
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
2-[2-methoxyethyl(methyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 143819371
3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 61492457
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 175172290

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The IUPAC name of 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (CID 61395439) is 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is Cc1cccc(C(=O)O)c1Oc1ncccc1C(F)(F)F.
What is the InChIKey of 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The InChIKey is KEEDVKXGHAVMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-8-4-2-5-9(13(19)20)11(8)21-12-10(14(15,16)17)6-3-7-18-12/h2-7H,1H3,(H,19,20).
What are the key properties of 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid has a molecular weight of 297.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 61395439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).