5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid

C9H5F6NO3 — CID 133087619

IUPAC5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)c(C(=O)O)nc1OC(F)(F)F
InChIInChI=1S/C9H5F6NO3/c1-3-2-4(8(10,11)12)5(7(17)18)16-6(3)19-9(13,14)15/h2H,1H3,(H,17,18)
InChIKeyZKZXQRMQOIJBEM-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.01
Rot. Bonds2

About 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid

5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 133087619) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID133087619
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)c(C(=O)O)nc1OC(F)(F)F
InChIInChI=1S/C9H5F6NO3/c1-3-2-4(8(10,11)12)5(7(17)18)16-6(3)19-9(13,14)15/h2H,1H3,(H,17,18)
InChIKeyZKZXQRMQOIJBEM-UHFFFAOYSA-N
XLogP3.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
2-(bromomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134672483
methyl 3-(bromomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134672507
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
methyl 2-iodo-5-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665755
5-(chloromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681159
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664757
5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665042
2-[6-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134659895
5-iodo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130784436
2-[5-methoxy-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679126

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 133087619) is 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1cc(C(F)(F)F)c(C(=O)O)nc1OC(F)(F)F.
What is the InChIKey of 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is ZKZXQRMQOIJBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c1-3-2-4(8(10,11)12)5(7(17)18)16-6(3)19-9(13,14)15/h2H,1H3,(H,17,18).
What are the key properties of 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 289.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133087619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).