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

C13H7Cl3FNO2 — CID 133090375

IUPAC2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)cnc1F
InChIInChI=1S/C13H7Cl3FNO2/c14-9-2-1-8(11(15)12(9)16)7-3-6(4-10(19)20)13(17)18-5-7/h1-3,5H,4H2,(H,19,20)
InChIKeyJJNQDJYZFGKBNL-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.47
Rot. Bonds3

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

2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid (PubChem CID 133090375) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
PubChem CID133090375
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Name2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)cnc1F
InChIInChI=1S/C13H7Cl3FNO2/c14-9-2-1-8(11(15)12(9)16)7-3-6(4-10(19)20)13(17)18-5-7/h1-3,5H,4H2,(H,19,20)
InChIKeyJJNQDJYZFGKBNL-UHFFFAOYSA-N
XLogP4.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.56
LogP ≤ 54.47
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-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
CID 118829634
2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411
2-[5-(2,3-difluorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133088999
2-[3,5-bis(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134635869
[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636116
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[6-chloro-2-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134635967
2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 118999815
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
2-[5-(2,3-dichlorophenyl)-3-nitro-2-pyridinyl]acetic acid
CID 133087430
2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene
CID 174356728

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid (CID 133090375) is 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)cnc1F.
What is the InChIKey of 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid?
The InChIKey is JJNQDJYZFGKBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c14-9-2-1-8(11(15)12(9)16)7-3-6(4-10(19)20)13(17)18-5-7/h1-3,5H,4H2,(H,19,20).
What are the key properties of 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid?
2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid has a molecular weight of 334.56 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 133090375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).