4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid

C13H10FNO3 — CID 107672839

IUPAC4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1ccc(F)cn1
InChIInChI=1S/C13H10FNO3/c1-8-6-9(13(16)17)2-4-11(8)18-12-5-3-10(14)7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyOEXSWIOWNZMLFO-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.02
Rot. Bonds3

About 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid

4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid (PubChem CID 107672839) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
PubChem CID107672839
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1ccc(F)cn1
InChIInChI=1S/C13H10FNO3/c1-8-6-9(13(16)17)2-4-11(8)18-12-5-3-10(14)7-15-12/h2-7H,1H3,(H,16,17)
InChIKeyOEXSWIOWNZMLFO-UHFFFAOYSA-N
XLogP3.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
3-methyl-4-quinoxalin-2-yloxybenzoic acid
CID 107672759
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161
6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 62369990
4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 107875372
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid (CID 107672839) is 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1Oc1ccc(F)cn1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid?
The InChIKey is OEXSWIOWNZMLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-8-6-9(13(16)17)2-4-11(8)18-12-5-3-10(14)7-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid?
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid has a molecular weight of 247.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid is sourced from PubChem (CID 107672839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).