4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid

C12H7Cl2NO3 — CID 81225523

IUPAC4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2NO3/c13-7-3-8(14)5-9(4-7)18-11-1-2-15-6-10(11)12(16)17/h1-6H,(H,16,17)
InChIKeyUOBJLOVSNKTTAG-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.88
Rot. Bonds3

About 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid

4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid (PubChem CID 81225523) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
PubChem CID81225523
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2NO3/c13-7-3-8(14)5-9(4-7)18-11-1-2-15-6-10(11)12(16)17/h1-6H,(H,16,17)
InChIKeyUOBJLOVSNKTTAG-UHFFFAOYSA-N
XLogP3.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
[4-(3,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 81237951
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
4-(4-methylsulfanylphenoxy)pyridine-3-carboxylic acid
CID 81226086
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226
4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid
CID 91536532
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid
CID 106502871
4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid
CID 81225444
5-[(3-chloro-4-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077869
2-amino-3-(3,5-dichlorophenoxy)benzoic acid
CID 115547178
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid (CID 81225523) is 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cnccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is UOBJLOVSNKTTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-7-3-8(14)5-9(4-7)18-11-1-2-15-6-10(11)12(16)17/h1-6H,(H,16,17).
What are the key properties of 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid?
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 284.10 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81225523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).