3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid

C8H6F3NO3 — CID 46318021

IUPAC3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C8H6F3NO3/c1-15-4-2-3-5(8(9,10)11)12-6(4)7(13)14/h2-3H,1H3,(H,13,14)
InChIKeyDNIWSOTWTRSLCX-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.81
Rot. Bonds2

About 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid

3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 46318021) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID46318021
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C8H6F3NO3/c1-15-4-2-3-5(8(9,10)11)12-6(4)7(13)14/h2-3H,1H3,(H,13,14)
InChIKeyDNIWSOTWTRSLCX-UHFFFAOYSA-N
XLogP1.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid (CID 46318021) is 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid is COc1ccc(C(F)(F)F)nc1C(=O)O.
What is the InChIKey of 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is DNIWSOTWTRSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-4-2-3-5(8(9,10)11)12-6(4)7(13)14/h2-3H,1H3,(H,13,14).
What are the key properties of 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid?
3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 46318021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).