5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid

C12H5Cl3FNO2 — CID 133088789

IUPAC5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)c(Cl)cc2Cl)ncc1F
InChIInChI=1S/C12H5Cl3FNO2/c13-7-3-9(15)8(14)1-5(7)11-2-6(12(18)19)10(16)4-17-11/h1-4H,(H,18,19)
InChIKeyXWPPBBZNWHONOM-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.55
Rot. Bonds2

About 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid

5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 133088789) has the molecular formula C12H5Cl3FNO2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
PubChem CID133088789
Molecular FormulaC12H5Cl3FNO2
Molecular Weight320.53 g/mol
Exact Mass318.94
IUPAC Name5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)c(Cl)cc2Cl)ncc1F
InChIInChI=1S/C12H5Cl3FNO2/c13-7-3-9(15)8(14)1-5(7)11-2-6(12(18)19)10(16)4-17-11/h1-4H,(H,18,19)
InChIKeyXWPPBBZNWHONOM-UHFFFAOYSA-N
XLogP4.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.55
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-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118808083
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
2,4,5-tris(2,4,5-trichlorophenyl)pyridine
CID 134637766
5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
CID 46313816
5-chloro-2-(2,4,5-trichlorophenyl)pyridine
CID 134629473
5-fluoro-2-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 155818629
2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 118809173
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 133089636
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)
CID 59303577

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid (CID 133088789) is 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)c(Cl)cc2Cl)ncc1F.
What is the InChIKey of 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is XWPPBBZNWHONOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO2/c13-7-3-9(15)8(14)1-5(7)11-2-6(12(18)19)10(16)4-17-11/h1-4H,(H,18,19).
What are the key properties of 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid?
5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid has a molecular weight of 320.53 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 133088789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).