6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid

C14H10F3NO3 — CID 69182893

IUPAC6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESCc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(=O)O)n1
InChIInChI=1S/C14H10F3NO3/c1-8-5-10(7-12(18-8)13(19)20)9-3-2-4-11(6-9)21-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyHGFKQJHHTOTKTF-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.65
Rot. Bonds3

About 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid

6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 69182893) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID69182893
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESCc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(=O)O)n1
InChIInChI=1S/C14H10F3NO3/c1-8-5-10(7-12(18-8)13(19)20)9-3-2-4-11(6-9)21-14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyHGFKQJHHTOTKTF-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 136860130
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 134631215
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
CID 162785666
4-fluoro-5-methyl-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 172914115
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
2-ethyl-5-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 107105442
methyl 3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 75488260

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (CID 69182893) is 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is Cc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is HGFKQJHHTOTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-8-5-10(7-12(18-8)13(19)20)9-3-2-4-11(6-9)21-14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69182893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).