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

C12H8Cl2N2O3 — CID 107197944

IUPAC5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid
SMILESNc1cc(Cl)c(Oc2cncc(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-6-1-8(5-16-4-6)19-11-9(12(17)18)2-7(15)3-10(11)14/h1-5H,15H2,(H,17,18)
InChIKeyBXBLSSQJFYLOEB-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.46
Rot. Bonds3

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

5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid (PubChem CID 107197944) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid
PubChem CID107197944
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid
SMILESNc1cc(Cl)c(Oc2cncc(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-6-1-8(5-16-4-6)19-11-9(12(17)18)2-7(15)3-10(11)14/h1-5H,15H2,(H,17,18)
InChIKeyBXBLSSQJFYLOEB-UHFFFAOYSA-N
XLogP3.46
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-(4-methoxyphenoxy)benzoic acid
CID 107197281
2-[(5-chloro-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 64601752
5-amino-3-chloro-2-(4-methylsulfanylphenoxy)benzoic acid
CID 107197883
5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid
CID 107197815
1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid
CID 106765808
5-amino-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide
CID 64600181
5-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 114409020
5-amino-3-chloro-2-(2,5-difluorophenoxy)benzoic acid
CID 107197867
methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate
CID 107197176
5-amino-3-chloro-2-(oxetan-3-yloxy)benzoic acid
CID 107198210
5-amino-3-chloro-2-(2-chloro-4-methylphenoxy)benzoic acid
CID 107197838
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid (CID 107197944) is 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid is Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid?
The InChIKey is BXBLSSQJFYLOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-6-1-8(5-16-4-6)19-11-9(12(17)18)2-7(15)3-10(11)14/h1-5H,15H2,(H,17,18).
What are the key properties of 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid?
5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid has a molecular weight of 299.11 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 107197944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).