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

C13H7Cl4NO2 — CID 118999815

IUPAC2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)nc(-c2ccc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-8-2-1-7(12(16)13(8)17)9-3-6(5-11(19)20)4-10(15)18-9/h1-4H,5H2,(H,19,20)
InChIKeyRBFSUUQQCZMJHS-UHFFFAOYSA-N
MW351.02 g/mol
LogP4.99
Rot. Bonds3

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

2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid (PubChem CID 118999815) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is 2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
PubChem CID118999815
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)nc(-c2ccc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C13H7Cl4NO2/c14-8-2-1-7(12(16)13(8)17)9-3-6(5-11(19)20)4-10(15)18-9/h1-4H,5H2,(H,19,20)
InChIKeyRBFSUUQQCZMJHS-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118807924
2-[2-(2,3-dichlorophenyl)-6-methyl-4-pyridinyl]acetic acid
CID 118819375
2-[6-chloro-2-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134635967
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
CID 118829634
2-[3,5-bis(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134635869
[2-chloro-6-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119006954
2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 133090375
2-[2-chloro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 119017945
2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411
2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 118836281
2-[6-(2,3-dichlorophenyl)-3-pyridinyl]acetic acid
CID 118825001

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid (CID 118999815) is 2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(Cl)nc(-c2ccc(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid?
The InChIKey is RBFSUUQQCZMJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-8-2-1-7(12(16)13(8)17)9-3-6(5-11(19)20)4-10(15)18-9/h1-4H,5H2,(H,19,20).
What are the key properties of 2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid?
2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-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-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 118999815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).