2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid

C28H26Cl5FN6O9 — CID 137481664

IUPAC2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
SMILESCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl.O=C(O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H17N3O3.C7H4Cl3NO3.C7H5Cl2FN2O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10;8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h5-7H,1-4H3,(H,18,19)(H,16,17,20);1H,2H2,(H,12,13);1H2,(H2,11,12)(H,13,14)
InChIKeyYQECNKVTJSZKBV-UHFFFAOYSA-N
MW786.81 g/mol
LogP5.46
Rot. Bonds9

About 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid

2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid (PubChem CID 137481664) has the molecular formula C28H26Cl5FN6O9 and a molecular weight of 786.81 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
PubChem CID137481664
Molecular FormulaC28H26Cl5FN6O9
Molecular Weight786.81 g/mol
Exact Mass784.02
IUPAC Name2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid
SMILESCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl.O=C(O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H17N3O3.C7H4Cl3NO3.C7H5Cl2FN2O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10;8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h5-7H,1-4H3,(H,18,19)(H,16,17,20);1H,2H2,(H,12,13);1H2,(H2,11,12)(H,13,14)
InChIKeyYQECNKVTJSZKBV-UHFFFAOYSA-N
XLogP5.46
TPSA236.51 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.81
LogP ≤ 55.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid (CID 137481664) is 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid is Cc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1.Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl.O=C(O)COc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid?
The InChIKey is YQECNKVTJSZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.C7H4Cl3NO3.C7H5Cl2FN2O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10;8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h5-7H,1-4H3,(H,18,19)(H,16,17,20);1H,2H2,(H,12,13);1H2,(H2,11,12)(H,13,14).
What are the key properties of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid?
2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid has a molecular weight of 786.81 g/mol, XLogP of 5.46, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 137481664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).