5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid

C13H9F2NO3 — CID 114034145

IUPAC5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ncc(F)cc2C(=O)O)ccc1F
InChIInChI=1S/C13H9F2NO3/c1-7-4-9(2-3-11(7)15)19-12-10(13(17)18)5-8(14)6-16-12/h2-6H,1H3,(H,17,18)
InChIKeyLBKLEVTWHDYISR-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.16
Rot. Bonds3

About 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid

5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid (PubChem CID 114034145) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
PubChem CID114034145
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ncc(F)cc2C(=O)O)ccc1F
InChIInChI=1S/C13H9F2NO3/c1-7-4-9(2-3-11(7)15)19-12-10(13(17)18)5-8(14)6-16-12/h2-6H,1H3,(H,17,18)
InChIKeyLBKLEVTWHDYISR-UHFFFAOYSA-N
XLogP3.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034131
5-amino-2-(3,4-difluorophenoxy)pyridine-3-carboxylic acid
CID 114047617
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002
1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
CID 142274107
5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114047540
2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
CID 114034149
2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 141335128
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid (CID 114034145) is 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid is Cc1cc(Oc2ncc(F)cc2C(=O)O)ccc1F.
What is the InChIKey of 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is LBKLEVTWHDYISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c1-7-4-9(2-3-11(7)15)19-12-10(13(17)18)5-8(14)6-16-12/h2-6H,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid?
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 114034145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).