2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid

C12H6Cl2FNO3 — CID 107016480

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl2FNO3/c13-6-3-9(14)11(16-5-6)19-10-4-7(15)1-2-8(10)12(17)18/h1-5H,(H,17,18)
InChIKeyJKOUHKKIJISLBB-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.02
Rot. Bonds3

About 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid

2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid (PubChem CID 107016480) has the molecular formula C12H6Cl2FNO3 and a molecular weight of 302.09 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid
PubChem CID107016480
Molecular FormulaC12H6Cl2FNO3
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl2FNO3/c13-6-3-9(14)11(16-5-6)19-10-4-7(15)1-2-8(10)12(17)18/h1-5H,(H,17,18)
InChIKeyJKOUHKKIJISLBB-UHFFFAOYSA-N
XLogP4.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-chloro-5-fluorophenoxy)pyridine-3-carboxamide
CID 141112105
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574
2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid
CID 107016607
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide
CID 112827772
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
4-fluoro-2-(3-methylphenoxy)benzoic acid
CID 22408591
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
2-[(3,5-dichloro-2-pyridinyl)oxy]-6-nitrobenzoic acid
CID 107342080
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139
2-(3-chloro-2-cyanophenoxy)-4-fluorobenzoic acid
CID 107016561
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-4-chlorobenzoic acid
CID 105368501

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid (CID 107016480) is 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1Oc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid?
The InChIKey is JKOUHKKIJISLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO3/c13-6-3-9(14)11(16-5-6)19-10-4-7(15)1-2-8(10)12(17)18/h1-5H,(H,17,18).
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid?
2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid has a molecular weight of 302.09 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid is sourced from PubChem (CID 107016480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).