6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid

C16H14F3NO3 — CID 70654818

IUPAC6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid
SMILESCC(C)(O)Cc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1
InChIInChI=1S/C16H14F3NO3/c1-16(2,23)7-8-5-10(18)13(11(19)6-8)14-9(17)3-4-12(20-14)15(21)22/h3-6,23H,7H2,1-2H3,(H,21,22)
InChIKeyYIOSNCDIXQRYNQ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.18
Rot. Bonds4

About 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid

6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid (PubChem CID 70654818) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid
PubChem CID70654818
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid
SMILESCC(C)(O)Cc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1
InChIInChI=1S/C16H14F3NO3/c1-16(2,23)7-8-5-10(18)13(11(19)6-8)14-9(17)3-4-12(20-14)15(21)22/h3-6,23H,7H2,1-2H3,(H,21,22)
InChIKeyYIOSNCDIXQRYNQ-UHFFFAOYSA-N
XLogP3.18
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654789
6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid
CID 70654787
6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 151709379
6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 67208142
6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate
CID 86670160
6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090645
5,6-difluoropyridine-2-carboxylic acid
CID 11469221
6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 59226502
5-fluoro-6-methylpyridine-2-carboxylic acid;formamide
CID 143716131
5-(2,2-dimethylpropyl)-2-fluorobenzoic acid
CID 115026901
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875
6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 59226555

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid (CID 70654818) is 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid is CC(C)(O)Cc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1.
What is the InChIKey of 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid?
The InChIKey is YIOSNCDIXQRYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-16(2,23)7-8-5-10(18)13(11(19)6-8)14-9(17)3-4-12(20-14)15(21)22/h3-6,23H,7H2,1-2H3,(H,21,22).
What are the key properties of 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid?
6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid has a molecular weight of 325.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 70654818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).