2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid

C12H5Cl3FNO2 — CID 133090252

IUPAC2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(F)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3FNO2/c13-5-3-7(14)10(8(15)4-5)9-6(12(18)19)1-2-17-11(9)16/h1-4H,(H,18,19)
InChIKeyJLJPTLJDKUDRRD-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.55
Rot. Bonds2

About 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid

2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 133090252) has the molecular formula C12H5Cl3FNO2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid
PubChem CID133090252
Molecular FormulaC12H5Cl3FNO2
Molecular Weight320.53 g/mol
Exact Mass318.94
IUPAC Name2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(F)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3FNO2/c13-5-3-7(14)10(8(15)4-5)9-6(12(18)19)1-2-17-11(9)16/h1-4H,(H,18,19)
InChIKeyJLJPTLJDKUDRRD-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
2-fluoro-3-phenylpyridine-4-carboxylic acid
CID 46314938
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
CID 133090291
2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 119000557
5,7-dichloro-6-fluoroquinoline-4-carboxylic acid
CID 107584360
2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 119004294
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 119009735
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 134637312

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid (CID 133090252) is 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(F)c1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is JLJPTLJDKUDRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO2/c13-5-3-7(14)10(8(15)4-5)9-6(12(18)19)1-2-17-11(9)16/h1-4H,(H,18,19).
What are the key properties of 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid?
2-fluoro-3-(2,4,6-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 2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 133090252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).