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

C15H14FNO3 — CID 103174512

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
SMILESCCc1nc(C)ccc1Oc1c(F)cccc1C(=O)O
InChIInChI=1S/C15H14FNO3/c1-3-12-13(8-7-9(2)17-12)20-14-10(15(18)19)5-4-6-11(14)16/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyJYYOYIDEMWKHFX-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.58
Rot. Bonds4

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

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid (PubChem CID 103174512) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
PubChem CID103174512
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
SMILESCCc1nc(C)ccc1Oc1c(F)cccc1C(=O)O
InChIInChI=1S/C15H14FNO3/c1-3-12-13(8-7-9(2)17-12)20-14-10(15(18)19)5-4-6-11(14)16/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyJYYOYIDEMWKHFX-UHFFFAOYSA-N
XLogP3.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate
CID 103175372
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
CID 103174497
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,3,5,6-tetrafluoropyridine
CID 103174614
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 107881290
3-fluoro-2-(4-methylphenoxy)benzoic acid
CID 62650788
3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 62650459
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81342191
3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid
CID 103174527
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 103175141

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid (CID 103174512) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid is CCc1nc(C)ccc1Oc1c(F)cccc1C(=O)O.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid?
The InChIKey is JYYOYIDEMWKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-3-12-13(8-7-9(2)17-12)20-14-10(15(18)19)5-4-6-11(14)16/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid has a molecular weight of 275.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid is sourced from PubChem (CID 103174512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).