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

C12H5Cl3FNO2 — CID 133090291

IUPAC2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1F
InChIInChI=1S/C12H5Cl3FNO2/c13-5-3-7(14)10(8(15)4-5)9-2-1-6(12(18)19)11(16)17-9/h1-4H,(H,18,19)
InChIKeyMLDGLLHSRMWDKN-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.55
Rot. Bonds2

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

2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid (PubChem CID 133090291) has the molecular formula C12H5Cl3FNO2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
PubChem CID133090291
Molecular FormulaC12H5Cl3FNO2
Molecular Weight320.53 g/mol
Exact Mass318.94
IUPAC Name2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1F
InChIInChI=1S/C12H5Cl3FNO2/c13-5-3-7(14)10(8(15)4-5)9-2-1-6(12(18)19)11(16)17-9/h1-4H,(H,18,19)
InChIKeyMLDGLLHSRMWDKN-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

3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090273
2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 133090252
6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid
CID 121228473
2-[6-(2,6-dichlorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133091022
2-fluoro-6-iodopyridine-3-carboxylic acid
CID 130769199
2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid
CID 133093784
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
5-fluoro-2-(2,4,6-trichlorophenyl)pyridine
CID 133090364
4,6,8-trichloroquinoline-3-carboxylic acid
CID 86810509
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid (CID 133090291) is 2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1F.
What is the InChIKey of 2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is MLDGLLHSRMWDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO2/c13-5-3-7(14)10(8(15)4-5)9-2-1-6(12(18)19)11(16)17-9/h1-4H,(H,18,19).
What are the key properties of 2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid?
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-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-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 133090291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).