6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid

C12H6Cl2FNO2 — CID 133090645

IUPAC6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H6Cl2FNO2/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16-11)12(17)18/h1-5H,(H,17,18)
InChIKeyAHEYKAGTRSTSAV-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.89
Rot. Bonds2

About 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid

6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 133090645) has the molecular formula C12H6Cl2FNO2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID133090645
Molecular FormulaC12H6Cl2FNO2
Molecular Weight286.09 g/mol
Exact Mass284.98
IUPAC Name6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H6Cl2FNO2/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16-11)12(17)18/h1-5H,(H,17,18)
InChIKeyAHEYKAGTRSTSAV-UHFFFAOYSA-N
XLogP3.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118813640
5-chloro-6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134629884
6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 59226502
2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
5,6-difluoropyridine-2-carboxylic acid
CID 11469221
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
6,8-dichloroquinoline-2-carboxylic acid
CID 82243861
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136967064
6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 151709379

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid (CID 133090645) is 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is AHEYKAGTRSTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO2/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16-11)12(17)18/h1-5H,(H,17,18).
What are the key properties of 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid?
6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 286.09 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 133090645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).