3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid

C8H6F3NO3 — CID 118704420

IUPAC3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)ccnc1C(F)(F)F
InChIInChI=1S/C8H6F3NO3/c1-15-5-4(7(13)14)2-3-12-6(5)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyUUQZNTDYUGKXDA-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.81
Rot. Bonds2

About 3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid

3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 118704420) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID118704420
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)ccnc1C(F)(F)F
InChIInChI=1S/C8H6F3NO3/c1-15-5-4(7(13)14)2-3-12-6(5)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyUUQZNTDYUGKXDA-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-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid (CID 118704420) is 3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid is COc1c(C(=O)O)ccnc1C(F)(F)F.
What is the InChIKey of 3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is UUQZNTDYUGKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-5-4(7(13)14)2-3-12-6(5)8(9,10)11/h2-3H,1H3,(H,13,14).
What are the key properties of 3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid?
3-methoxy-2-(trifluoromethyl)pyridine-4-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-2-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 118704420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).