3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid

C12H6ClF2NO3 — CID 112676365

IUPAC3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ncc(F)cc2F)c(Cl)c1
InChIInChI=1S/C12H6ClF2NO3/c13-8-3-6(12(17)18)1-2-10(8)19-11-9(15)4-7(14)5-16-11/h1-5H,(H,17,18)
InChIKeyDFPDKRAAPRYOKH-UHFFFAOYSA-N
MW285.63 g/mol
LogP3.50
Rot. Bonds3

About 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid

3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid (PubChem CID 112676365) has the molecular formula C12H6ClF2NO3 and a molecular weight of 285.63 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid
PubChem CID112676365
Molecular FormulaC12H6ClF2NO3
Molecular Weight285.63 g/mol
Exact Mass285.00
IUPAC Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ncc(F)cc2F)c(Cl)c1
InChIInChI=1S/C12H6ClF2NO3/c13-8-3-6(12(17)18)1-2-10(8)19-11-9(15)4-7(14)5-16-11/h1-5H,(H,17,18)
InChIKeyDFPDKRAAPRYOKH-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733254
4-[(3-bromo-2-pyridinyl)oxy]-3-chlorobenzoic acid
CID 61396283
5-amino-6-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81439243
5-chloro-6-(4-cyano-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 107670301
3-chloro-4-(2,5-dichlorophenoxy)benzoic acid
CID 63513310
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline
CID 112676066
4-(3-bromo-4-fluorophenoxy)-3-chlorobenzoic acid
CID 83234294
4-[(3-bromo-4-pyridinyl)oxy]-3-chlorobenzoic acid
CID 104779128
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
3-chloro-4-phthalazin-1-yloxybenzoic acid
CID 61396381

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid (CID 112676365) is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid is O=C(O)c1ccc(Oc2ncc(F)cc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is DFPDKRAAPRYOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO3/c13-8-3-6(12(17)18)1-2-10(8)19-11-9(15)4-7(14)5-16-11/h1-5H,(H,17,18).
What are the key properties of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid?
3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid has a molecular weight of 285.63 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 112676365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).