2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid

C12H6Cl2FNO3 — CID 106502943

IUPAC2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Oc2ncc(Cl)cc2F)ccc1Cl
InChIInChI=1S/C12H6Cl2FNO3/c13-6-3-10(15)11(16-5-6)19-7-1-2-9(14)8(4-7)12(17)18/h1-5H,(H,17,18)
InChIKeyOYEUBIQLNJIRHQ-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid

2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid (PubChem CID 106502943) has the molecular formula C12H6Cl2FNO3 and a molecular weight of 302.09 g/mol. Its IUPAC name is 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
PubChem CID106502943
Molecular FormulaC12H6Cl2FNO3
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cc(Oc2ncc(Cl)cc2F)ccc1Cl
InChIInChI=1S/C12H6Cl2FNO3/c13-6-3-10(15)11(16-5-6)19-7-1-2-9(14)8(4-7)12(17)18/h1-5H,(H,17,18)
InChIKeyOYEUBIQLNJIRHQ-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

2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
CID 67929203
CID 67929203
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid
CID 114045793
4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
CID 114213929
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502963
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid (CID 106502943) is 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid is O=C(O)c1cc(Oc2ncc(Cl)cc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is OYEUBIQLNJIRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO3/c13-6-3-10(15)11(16-5-6)19-7-1-2-9(14)8(4-7)12(17)18/h1-5H,(H,17,18).
What are the key properties of 2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid?
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic 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-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 106502943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).