2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid

C8H5BrF3NO3 — CID 90900248

IUPAC2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c9-3-1-4(8(10,11)12)5(13-2-3)6(14)7(15)16/h1-2,6,14H,(H,15,16)
InChIKeyIMVVJPGDGUDCCM-UHFFFAOYSA-N
MW300.03 g/mol
LogP1.98
Rot. Bonds2

About 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid

2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid (PubChem CID 90900248) has the molecular formula C8H5BrF3NO3 and a molecular weight of 300.03 g/mol. Its IUPAC name is 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
PubChem CID90900248
Molecular FormulaC8H5BrF3NO3
Molecular Weight300.03 g/mol
Exact Mass298.94
IUPAC Name2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c9-3-1-4(8(10,11)12)5(13-2-3)6(14)7(15)16/h1-2,6,14H,(H,15,16)
InChIKeyIMVVJPGDGUDCCM-UHFFFAOYSA-N
XLogP1.98
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid (CID 90900248) is 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid?
The InChIKey is IMVVJPGDGUDCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO3/c9-3-1-4(8(10,11)12)5(13-2-3)6(14)7(15)16/h1-2,6,14H,(H,15,16).
What are the key properties of 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid?
2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid has a molecular weight of 300.03 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid is sourced from PubChem (CID 90900248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).