5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid

C16H16FNO3 — CID 107881290

IUPAC5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
SMILESCCc1nc(C)ccc1OCc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C16H16FNO3/c1-3-14-15(7-4-10(2)18-14)21-9-11-5-6-13(17)12(8-11)16(19)20/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKeyBKARCNQJWRFOEV-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.37
Rot. Bonds5

About 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid

5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid (PubChem CID 107881290) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
PubChem CID107881290
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
SMILESCCc1nc(C)ccc1OCc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C16H16FNO3/c1-3-14-15(7-4-10(2)18-14)21-9-11-5-6-13(17)12(8-11)16(19)20/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKeyBKARCNQJWRFOEV-UHFFFAOYSA-N
XLogP3.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107881075
5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881254
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]phenyl]methanol
CID 103175335
5-[(2-bromo-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881036
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
CID 107881304
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 82918461
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 103174512
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
CID 103174497
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 106698232

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid (CID 107881290) is 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid is CCc1nc(C)ccc1OCc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid?
The InChIKey is BKARCNQJWRFOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-14-15(7-4-10(2)18-14)21-9-11-5-6-13(17)12(8-11)16(19)20/h4-8H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid?
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid has a molecular weight of 289.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid is sourced from PubChem (CID 107881290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).