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

C12H5Cl3FNO2 — CID 133090327

IUPAC3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2c(Cl)cc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C12H5Cl3FNO2/c13-5-3-6(14)10(7(15)4-5)9-2-1-8(16)11(17-9)12(18)19/h1-4H,(H,18,19)
InChIKeyWWAOGQCZPXENOL-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.55
Rot. Bonds2

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

3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid (PubChem CID 133090327) has the molecular formula C12H5Cl3FNO2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
PubChem CID133090327
Molecular FormulaC12H5Cl3FNO2
Molecular Weight320.53 g/mol
Exact Mass318.94
IUPAC Name3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2c(Cl)cc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C12H5Cl3FNO2/c13-5-3-6(14)10(7(15)4-5)9-2-1-8(16)11(17-9)12(18)19/h1-4H,(H,18,19)
InChIKeyWWAOGQCZPXENOL-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

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Related Compounds

2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
CID 133090291
3-fluoro-6-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313905
3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 142574205
3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134636979
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090273
3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid
CID 142574457
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
3-chloro-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 141310101
2-[6-(2,6-dichlorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133091022
3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134624256
3-chloro-6-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 166584127

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid (CID 133090327) is 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid is O=C(O)c1nc(-c2c(Cl)cc(Cl)cc2Cl)ccc1F.
What is the InChIKey of 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is WWAOGQCZPXENOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO2/c13-5-3-6(14)10(7(15)4-5)9-2-1-8(16)11(17-9)12(18)19/h1-4H,(H,18,19).
What are the key properties of 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid?
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-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 3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133090327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).