2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid

C8H5BrF3NO2 — CID 130109845

IUPAC2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Br)c(F)nc1C(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-4-1-3(2-5(14)15)6(7(10)11)13-8(4)12/h1,7H,2H2,(H,14,15)
InChIKeyFIDLTQHRYJROOB-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.55
Rot. Bonds3

About 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid

2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid (PubChem CID 130109845) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
PubChem CID130109845
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Br)c(F)nc1C(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-4-1-3(2-5(14)15)6(7(10)11)13-8(4)12/h1,7H,2H2,(H,14,15)
InChIKeyFIDLTQHRYJROOB-UHFFFAOYSA-N
XLogP2.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
methyl 2-[5-bromo-6-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134683882
2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 119004828
2-[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119012480
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706
2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815
2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130109840
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 118800091
2-[5-amino-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107363
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
CID 121227978

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid (CID 130109845) is 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid is O=C(O)Cc1cc(Br)c(F)nc1C(F)F.
What is the InChIKey of 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The InChIKey is FIDLTQHRYJROOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-4-1-3(2-5(14)15)6(7(10)11)13-8(4)12/h1,7H,2H2,(H,14,15).
What are the key properties of 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid has a molecular weight of 284.03 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid is sourced from PubChem (CID 130109845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).