2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid

C8H5Br2F2NO2 — CID 118818465

IUPAC2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(Br)cc(Br)c1C(F)F
InChIInChI=1S/C8H5Br2F2NO2/c9-3-1-5(10)13-4(2-6(14)15)7(3)8(11)12/h1,8H,2H2,(H,14,15)
InChIKeyJGDGVCBQRPGTIY-UHFFFAOYSA-N
MW344.94 g/mol
LogP3.17
Rot. Bonds3

About 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid

2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 118818465) has the molecular formula C8H5Br2F2NO2 and a molecular weight of 344.94 g/mol. Its IUPAC name is 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID118818465
Molecular FormulaC8H5Br2F2NO2
Molecular Weight344.94 g/mol
Exact Mass342.87
IUPAC Name2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(Br)cc(Br)c1C(F)F
InChIInChI=1S/C8H5Br2F2NO2/c9-3-1-5(10)13-4(2-6(14)15)7(3)8(11)12/h1,8H,2H2,(H,14,15)
InChIKeyJGDGVCBQRPGTIY-UHFFFAOYSA-N
XLogP3.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.94
LogP ≤ 53.17
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-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134685323
2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 134671684
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036
4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118845283
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-[6-bromo-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134675378
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130068471
2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074442
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486
methyl 2-[4-bromo-6-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685357

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid (CID 118818465) is 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1nc(Br)cc(Br)c1C(F)F.
What is the InChIKey of 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is JGDGVCBQRPGTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F2NO2/c9-3-1-5(10)13-4(2-6(14)15)7(3)8(11)12/h1,8H,2H2,(H,14,15).
What are the key properties of 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 344.94 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118818465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).