6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid

C12H6F3NO3 — CID 151709379

IUPAC6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2c(F)ccc(O)c2F)n1
InChIInChI=1S/C12H6F3NO3/c13-5-2-4-8(17)10(15)9(5)11-6(14)1-3-7(16-11)12(18)19/h1-4,17H,(H,18,19)
InChIKeyRGFSMVLQXIAXPD-UHFFFAOYSA-N
MW269.18 g/mol
LogP2.57
Rot. Bonds2

About 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid

6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 151709379) has the molecular formula C12H6F3NO3 and a molecular weight of 269.18 g/mol. Its IUPAC name is 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID151709379
Molecular FormulaC12H6F3NO3
Molecular Weight269.18 g/mol
Exact Mass269.03
IUPAC Name6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2c(F)ccc(O)c2F)n1
InChIInChI=1S/C12H6F3NO3/c13-5-2-4-8(17)10(15)9(5)11-6(14)1-3-7(16-11)12(18)19/h1-4,17H,(H,18,19)
InChIKeyRGFSMVLQXIAXPD-UHFFFAOYSA-N
XLogP2.57
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid (CID 151709379) is 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(-c2c(F)ccc(O)c2F)n1.
What is the InChIKey of 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is RGFSMVLQXIAXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO3/c13-5-2-4-8(17)10(15)9(5)11-6(14)1-3-7(16-11)12(18)19/h1-4,17H,(H,18,19).
What are the key properties of 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid?
6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 269.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 151709379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).