2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid

C8H5BrFIO2 — CID 131621169

IUPAC2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid
SMILESO=C(O)Cc1c(Br)ccc(I)c1F
InChIInChI=1S/C8H5BrFIO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKeyWANIHJOESYFMAK-UHFFFAOYSA-N
MW358.93 g/mol
LogP2.82
Rot. Bonds2

About 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid

2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid (PubChem CID 131621169) has the molecular formula C8H5BrFIO2 and a molecular weight of 358.93 g/mol. Its IUPAC name is 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid
PubChem CID131621169
Molecular FormulaC8H5BrFIO2
Molecular Weight358.93 g/mol
Exact Mass357.85
IUPAC Name2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid
SMILESO=C(O)Cc1c(Br)ccc(I)c1F
InChIInChI=1S/C8H5BrFIO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKeyWANIHJOESYFMAK-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.93
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(6-bromo-2-fluoro-3-iodophenyl)methanamine
CID 171018361
1-bromo-2-(bromomethyl)-3-fluoro-4-iodobenzene
CID 131331874
2-(3-bromo-2-fluoro-4-iodophenyl)acetic acid
CID 171001427
2-[2,3-bis(carboxymethyl)-4-iodophenyl]acetic acid
CID 67126881
2-(3,6-dibromo-2-chlorophenyl)acetic acid
CID 171009622
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
2-(6-bromo-2-fluoro-3,4-dihydroxyphenyl)acetic acid
CID 117416359
2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117111600
2-(4-bromo-2,3,5,6-tetrafluorophenyl)acetic acid
CID 4562803
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
2-(3-amino-6-bromo-2-chlorophenyl)acetic acid
CID 131299170
2-(3-bromo-5-fluoro-2-iodophenyl)acetic acid
CID 131621164

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid?
The IUPAC name of 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid (CID 131621169) is 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid.
What is the SMILES notation for 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid?
The canonical SMILES for 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid is O=C(O)Cc1c(Br)ccc(I)c1F.
What is the InChIKey of 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid?
The InChIKey is WANIHJOESYFMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFIO2/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid?
2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid has a molecular weight of 358.93 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid is sourced from PubChem (CID 131621169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).