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

C14H10F3NO3 — CID 63851691

IUPAC5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-3-1-2-9(4-11)8-21-12-5-10(13(19)20)6-18-7-12/h1-7H,8H2,(H,19,20)
InChIKeyREZZERBGYSLSDG-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.38
Rot. Bonds4

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

5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid (PubChem CID 63851691) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
PubChem CID63851691
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-3-1-2-9(4-11)8-21-12-5-10(13(19)20)6-18-7-12/h1-7H,8H2,(H,19,20)
InChIKeyREZZERBGYSLSDG-UHFFFAOYSA-N
XLogP3.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid
CID 117234296
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 71150981
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine
CID 177245514
5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 104795977
3-[[3-(trifluoromethyl)phenyl]methoxy]benzenecarbothioamide
CID 29016770
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353
N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid (CID 63851691) is 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is REZZERBGYSLSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)11-3-1-2-9(4-11)8-21-12-5-10(13(19)20)6-18-7-12/h1-7H,8H2,(H,19,20).
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid?
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63851691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).