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

C8H5BrF2INO2 — CID 118998027

IUPAC2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(I)c(C(F)F)nc1Br
InChIInChI=1S/C8H5BrF2INO2/c9-7-3(2-5(14)15)1-4(12)6(13-7)8(10)11/h1,8H,2H2,(H,14,15)
InChIKeyAVFYIDCZBICKCY-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.01
Rot. Bonds3

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

2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid (PubChem CID 118998027) has the molecular formula C8H5BrF2INO2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
PubChem CID118998027
Molecular FormulaC8H5BrF2INO2
Molecular Weight391.94 g/mol
Exact Mass390.85
IUPAC Name2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(I)c(C(F)F)nc1Br
InChIInChI=1S/C8H5BrF2INO2/c9-7-3(2-5(14)15)1-4(12)6(13-7)8(10)11/h1,8H,2H2,(H,14,15)
InChIKeyAVFYIDCZBICKCY-UHFFFAOYSA-N
XLogP3.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119021742
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
CID 130086318
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
2-[5-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130087657
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
2-[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119012480
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
2-[2-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119019827
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride
CID 130068532
2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid (CID 118998027) is 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid is O=C(O)Cc1cc(I)c(C(F)F)nc1Br.
What is the InChIKey of 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid?
The InChIKey is AVFYIDCZBICKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2INO2/c9-7-3(2-5(14)15)1-4(12)6(13-7)8(10)11/h1,8H,2H2,(H,14,15).
What are the key properties of 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid?
2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid has a molecular weight of 391.94 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid is sourced from PubChem (CID 118998027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).