2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid

C14H7F6NO3 — CID 118819339

IUPAC2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H7F6NO3/c15-13(16,17)7-5-9(12(22)23)11(21-6-7)8-3-1-2-4-10(8)24-14(18,19)20/h1-6H,(H,22,23)
InChIKeyQACSLZPSOUNVKX-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.36
Rot. Bonds3

About 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118819339) has the molecular formula C14H7F6NO3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118819339
Molecular FormulaC14H7F6NO3
Molecular Weight351.20 g/mol
Exact Mass351.03
IUPAC Name2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H7F6NO3/c15-13(16,17)7-5-9(12(22)23)11(21-6-7)8-3-1-2-4-10(8)24-14(18,19)20/h1-6H,(H,22,23)
InChIKeyQACSLZPSOUNVKX-UHFFFAOYSA-N
XLogP4.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118808003
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231
2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 133089361
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 119025158
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 118813597

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118819339) is 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cnc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is QACSLZPSOUNVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6NO3/c15-13(16,17)7-5-9(12(22)23)11(21-6-7)8-3-1-2-4-10(8)24-14(18,19)20/h1-6H,(H,22,23).
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 351.20 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118819339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).