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

C12H8Cl2N2O3 — CID 43566444

IUPAC2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
SMILESNc1ccc(Oc2ncc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C12H8Cl2N2O3/c13-6-3-9(14)11(16-5-6)19-7-1-2-10(15)8(4-7)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyPYYRXWQDRPZJGB-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.46
Rot. Bonds3

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

2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid (PubChem CID 43566444) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
PubChem CID43566444
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
SMILESNc1ccc(Oc2ncc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C12H8Cl2N2O3/c13-6-3-9(14)11(16-5-6)19-7-1-2-10(15)8(4-7)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyPYYRXWQDRPZJGB-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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Launch Full Analysis

Related Compounds

2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
CID 114838080
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
2-amino-5-pyrazin-2-yloxybenzoic acid
CID 43378405
2-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenol
CID 86116326
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
5-[(3-bromo-5-chloro-2-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077846
2-amino-5-(4-chloro-3-methylphenoxy)benzoic acid
CID 60986913
2-[(3,5-dichloro-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016480
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001
5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114047540

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid (CID 43566444) is 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid is Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid?
The InChIKey is PYYRXWQDRPZJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-6-3-9(14)11(16-5-6)19-7-1-2-10(15)8(4-7)12(17)18/h1-5H,15H2,(H,17,18).
What are the key properties of 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid?
2-amino-5-[(3,5-dichloro-2-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 2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 43566444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).