2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid

C13H7Cl4NO2 — CID 134636083

IUPAC2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H7Cl4NO2/c14-8-2-1-7(5-11(19)20)18-13(8)6-3-9(15)12(17)10(16)4-6/h1-4H,5H2,(H,19,20)
InChIKeyOWQBFPVSDDZKDX-UHFFFAOYSA-N
MW351.02 g/mol
LogP4.99
Rot. Bonds3

About 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid

2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid (PubChem CID 134636083) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
PubChem CID134636083
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H7Cl4NO2/c14-8-2-1-7(5-11(19)20)18-13(8)6-3-9(15)12(17)10(16)4-6/h1-4H,5H2,(H,19,20)
InChIKeyOWQBFPVSDDZKDX-UHFFFAOYSA-N
XLogP4.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.02
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[5,6-bis(2,3,6-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134637234
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
2-(6-chloro-5-hydroxy-2-pyridinyl)acetic acid
CID 82602547
2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090419
2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid
CID 131870394
2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328
2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131870429
2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
CID 118829634
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetic acid
CID 131870101
2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133092375
2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088475
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid (CID 134636083) is 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is OWQBFPVSDDZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-8-2-1-7(5-11(19)20)18-13(8)6-3-9(15)12(17)10(16)4-6/h1-4H,5H2,(H,19,20).
What are the key properties of 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 351.02 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134636083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).