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

C13H7Cl3FNO2 — CID 134637599

IUPAC2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(F)nc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3FNO2/c14-7-4-8(12(16)9(15)5-7)13-6(3-11(19)20)1-2-10(17)18-13/h1-2,4-5H,3H2,(H,19,20)
InChIKeyYAABVCQCBXMGHI-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.47
Rot. Bonds3

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

2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid (PubChem CID 134637599) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is 2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
PubChem CID134637599
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Name2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(F)nc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3FNO2/c14-7-4-8(12(16)9(15)5-7)13-6(3-11(19)20)1-2-10(17)18-13/h1-2,4-5H,3H2,(H,19,20)
InChIKeyYAABVCQCBXMGHI-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_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090419
2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637233
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
2-[3-(3,5-dichlorophenyl)-6-fluoro-2-pyridinyl]acetic acid
CID 133090701
2-[2-chloro-4-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622770
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
2-(2,6-difluoro-3-pyridinyl)acetic acid
CID 118998440
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
CID 118835610
2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118813640
2-[6-chloro-2-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134635967

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid (CID 134637599) is 2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(F)nc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid?
The InChIKey is YAABVCQCBXMGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c14-7-4-8(12(16)9(15)5-7)13-6(3-11(19)20)1-2-10(17)18-13/h1-2,4-5H,3H2,(H,19,20).
What are the key properties of 2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid?
2-[6-fluoro-2-(2,3,5-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-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 134637599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).