2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid

C19H9Cl6NO2 — CID 134637233

IUPAC2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C19H9Cl6NO2/c20-9-3-11(17(24)14(22)5-9)12-1-8(2-16(27)28)7-26-19(12)13-4-10(21)6-15(23)18(13)25/h1,3-7H,2H2,(H,27,28)
InChIKeyAIUAIZLNWGFNKX-UHFFFAOYSA-N
MW496.00 g/mol
LogP7.96
Rot. Bonds4

About 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid

2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid (PubChem CID 134637233) has the molecular formula C19H9Cl6NO2 and a molecular weight of 496.00 g/mol. Its IUPAC name is 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
PubChem CID134637233
Molecular FormulaC19H9Cl6NO2
Molecular Weight496.00 g/mol
Exact Mass492.88
IUPAC Name2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C19H9Cl6NO2/c20-9-3-11(17(24)14(22)5-9)12-1-8(2-16(27)28)7-26-19(12)13-4-10(21)6-15(23)18(13)25/h1,3-7H,2H2,(H,27,28)
InChIKeyAIUAIZLNWGFNKX-UHFFFAOYSA-N
XLogP7.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.00
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]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

Related Compounds

2-[6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridin-3-yl]acetic acid
CID 133092620
2-[2-(2,4,6-trichlorophenyl)pyrimidin-5-yl]acetic acid
CID 118824949
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
2-[6-amino-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 119006668
2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637599
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637530
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 131611737
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
2-[6-(2,3-dichlorophenyl)-3-pyridinyl]acetic acid
CID 118825001

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid (CID 134637233) is 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1.
What is the InChIKey of 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid?
The InChIKey is AIUAIZLNWGFNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl6NO2/c20-9-3-11(17(24)14(22)5-9)12-1-8(2-16(27)28)7-26-19(12)13-4-10(21)6-15(23)18(13)25/h1,3-7H,2H2,(H,27,28).
What are the key properties of 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid?
2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid has a molecular weight of 496.00 g/mol, XLogP of 7.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 134637233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).