2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid

C8H5BrF2INO2 — CID 130068471

IUPAC2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(Br)c(C(F)F)c1I
InChIInChI=1S/C8H5BrF2INO2/c9-3-2-13-4(1-5(14)15)7(12)6(3)8(10)11/h2,8H,1H2,(H,14,15)
InChIKeyOEHFBRHMHFJFMZ-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.01
Rot. Bonds3

About 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid

2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid (PubChem CID 130068471) has the molecular formula C8H5BrF2INO2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
PubChem CID130068471
Molecular FormulaC8H5BrF2INO2
Molecular Weight391.94 g/mol
Exact Mass390.85
IUPAC Name2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(Br)c(C(F)F)c1I
InChIInChI=1S/C8H5BrF2INO2/c9-3-2-13-4(1-5(14)15)7(12)6(3)8(10)11/h2,8H,1H2,(H,14,15)
InChIKeyOEHFBRHMHFJFMZ-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130068606
2-[4-bromo-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 130068481
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684591
2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
2-[6-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetic acid
CID 119011277
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118818465
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100098

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid (CID 130068471) is 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(Br)c(C(F)F)c1I.
What is the InChIKey of 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid?
The InChIKey is OEHFBRHMHFJFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2INO2/c9-3-2-13-4(1-5(14)15)7(12)6(3)8(10)11/h2,8H,1H2,(H,14,15).
What are the key properties of 2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid?
2-[5-bromo-4-(difluoromethyl)-3-iodo-2-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-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid is sourced from PubChem (CID 130068471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).