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

C14H10F3NO3 — CID 67025478

IUPAC3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)cnc1C(=O)O
InChIInChI=1S/C14H10F3NO3/c1-21-11-6-9(7-18-12(11)13(19)20)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeySMVRUTZMVDOZQA-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.47
Rot. Bonds3

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

3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 67025478) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID67025478
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)cnc1C(=O)O
InChIInChI=1S/C14H10F3NO3/c1-21-11-6-9(7-18-12(11)13(19)20)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeySMVRUTZMVDOZQA-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 67025478) is 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is COc1cc(-c2cccc(C(F)(F)F)c2)cnc1C(=O)O.
What is the InChIKey of 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is SMVRUTZMVDOZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-21-11-6-9(7-18-12(11)13(19)20)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 67025478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).