2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid

C16H16FNO3 — CID 107875372

IUPAC2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
SMILESCC(C)(C)c1ccc(Oc2ccc(F)cc2C(=O)O)nc1
InChIInChI=1S/C16H16FNO3/c1-16(2,3)10-4-7-14(18-9-10)21-13-6-5-11(17)8-12(13)15(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyVMMNZJIVGYRMRD-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.01
Rot. Bonds3

About 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid

2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid (PubChem CID 107875372) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
PubChem CID107875372
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
SMILESCC(C)(C)c1ccc(Oc2ccc(F)cc2C(=O)O)nc1
InChIInChI=1S/C16H16FNO3/c1-16(2,3)10-4-7-14(18-9-10)21-13-6-5-11(17)8-12(13)15(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyVMMNZJIVGYRMRD-UHFFFAOYSA-N
XLogP4.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 113281460
4-[(5-tert-butyl-2-pyridinyl)oxy]-2-fluorobenzoic acid
CID 107875380
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
(5-tert-butyl-2-pyridinyl) hydrogen carbonate
CID 118071933
5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585791
5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
5-fluoro-2-nonoxybenzoic acid
CID 115297915
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
CID 107732384
5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
CID 115298212

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid?
The IUPAC name of 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid (CID 107875372) is 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid is CC(C)(C)c1ccc(Oc2ccc(F)cc2C(=O)O)nc1.
What is the InChIKey of 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid?
The InChIKey is VMMNZJIVGYRMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-16(2,3)10-4-7-14(18-9-10)21-13-6-5-11(17)8-12(13)15(19)20/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid?
2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid has a molecular weight of 289.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid is sourced from PubChem (CID 107875372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).