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

C14H7Cl3F3NO2 — CID 118807924

IUPAC2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C14H7Cl3F3NO2/c15-8-2-1-7(12(16)13(8)17)9-3-6(5-11(22)23)4-10(21-9)14(18,19)20/h1-4H,5H2,(H,22,23)
InChIKeyIEFTYFGBEFPAPN-UHFFFAOYSA-N
MW384.57 g/mol
LogP5.35
Rot. Bonds3

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

2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 118807924) has the molecular formula C14H7Cl3F3NO2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID118807924
Molecular FormulaC14H7Cl3F3NO2
Molecular Weight384.57 g/mol
Exact Mass382.95
IUPAC Name2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C14H7Cl3F3NO2/c15-8-2-1-7(12(16)13(8)17)9-3-6(5-11(22)23)4-10(21-9)14(18,19)20/h1-4H,5H2,(H,22,23)
InChIKeyIEFTYFGBEFPAPN-UHFFFAOYSA-N
XLogP5.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 55.35
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-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 118999815
2-[2-(2,3-dichlorophenyl)-6-methyl-4-pyridinyl]acetic acid
CID 118819375
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-[6-chloro-2-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134635967
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118852999
2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 133090375
2-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 170837769
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 119004079
2-[3,5-bis(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134635869
2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 118807924) is 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is IEFTYFGBEFPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3F3NO2/c15-8-2-1-7(12(16)13(8)17)9-3-6(5-11(22)23)4-10(21-9)14(18,19)20/h1-4H,5H2,(H,22,23).
What are the key properties of 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 384.57 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 118807924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).