2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid

C8H6BrF2NO3 — CID 118800091

IUPAC2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Br)c(O)c(C(F)F)n1
InChIInChI=1S/C8H6BrF2NO3/c9-4-1-3(2-5(13)14)12-6(7(4)15)8(10)11/h1,8,15H,2H2,(H,13,14)
InChIKeyGTJOGEJEDSAECV-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.11
Rot. Bonds3

About 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid

2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid (PubChem CID 118800091) has the molecular formula C8H6BrF2NO3 and a molecular weight of 282.04 g/mol. Its IUPAC name is 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
PubChem CID118800091
Molecular FormulaC8H6BrF2NO3
Molecular Weight282.04 g/mol
Exact Mass280.95
IUPAC Name2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Br)c(O)c(C(F)F)n1
InChIInChI=1S/C8H6BrF2NO3/c9-4-1-3(2-5(13)14)12-6(7(4)15)8(10)11/h1,8,15H,2H2,(H,13,14)
InChIKeyGTJOGEJEDSAECV-UHFFFAOYSA-N
XLogP2.11
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130109845
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
2-[3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130070813
2-[5-(bromomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106578
2-[6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837450
2-[6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130082055
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071417
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid (CID 118800091) is 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid is O=C(O)Cc1cc(Br)c(O)c(C(F)F)n1.
What is the InChIKey of 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
The InChIKey is GTJOGEJEDSAECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO3/c9-4-1-3(2-5(13)14)12-6(7(4)15)8(10)11/h1,8,15H,2H2,(H,13,14).
What are the key properties of 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid?
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid has a molecular weight of 282.04 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 118800091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).