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

C13H7Cl3FNO2 — CID 134637610

IUPAC2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cc(Cl)cc(Cl)c2Cl)ncc1F
InChIInChI=1S/C13H7Cl3FNO2/c14-7-3-8(13(16)9(15)4-7)11-1-6(2-12(19)20)10(17)5-18-11/h1,3-5H,2H2,(H,19,20)
InChIKeyPQQIJAAGJGDZRC-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.47
Rot. Bonds3

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

2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid (PubChem CID 134637610) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
PubChem CID134637610
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Name2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cc(Cl)cc(Cl)c2Cl)ncc1F
InChIInChI=1S/C13H7Cl3FNO2/c14-7-3-8(13(16)9(15)4-7)11-1-6(2-12(19)20)10(17)5-18-11/h1,3-5H,2H2,(H,19,20)
InChIKeyPQQIJAAGJGDZRC-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': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637599
2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637233
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid
CID 130902433
4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637060
methyl 5-amino-2-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133087054
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118852999
2-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131869932
2-(5-chloro-4-fluoro-2-pyridinyl)acetic acid
CID 130775275
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid (CID 134637610) is 2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(-c2cc(Cl)cc(Cl)c2Cl)ncc1F.
What is the InChIKey of 2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid?
The InChIKey is PQQIJAAGJGDZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c14-7-3-8(13(16)9(15)4-7)11-1-6(2-12(19)20)10(17)5-18-11/h1,3-5H,2H2,(H,19,20).
What are the key properties of 2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid?
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-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-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134637610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).