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

C13H7Cl3FNO2 — CID 133090419

IUPAC2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(F)ccc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl3FNO2/c14-8-3-6(4-9(15)13(8)16)7-1-2-11(17)18-10(7)5-12(19)20/h1-4H,5H2,(H,19,20)
InChIKeyXIPLDJDCWIGGCZ-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.47
Rot. Bonds3

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

2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid (PubChem CID 133090419) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is 2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
PubChem CID133090419
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Name2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(F)ccc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl3FNO2/c14-8-3-6(4-9(15)13(8)16)7-1-2-11(17)18-10(7)5-12(19)20/h1-4H,5H2,(H,19,20)
InChIKeyXIPLDJDCWIGGCZ-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-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
CID 133090701
2-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785
2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637599
2-[6-amino-3-(3,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087361
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
2-[6-oxo-3-(3,4,5-trichlorophenyl)-1H-pyridin-2-yl]acetic acid
CID 133092378
2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134636083
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133092375
2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid (CID 133090419) is 2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1nc(F)ccc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is XIPLDJDCWIGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c14-8-3-6(4-9(15)13(8)16)7-1-2-11(17)18-10(7)5-12(19)20/h1-4H,5H2,(H,19,20).
What are the key properties of 2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid?
2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-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-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133090419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).