(2-bromo-3-fluoro-6-iodophenyl)methanol

C7H5BrFIO — CID 131332714

IUPAC(2-bromo-3-fluoro-6-iodophenyl)methanol
SMILESOCc1c(I)ccc(F)c1Br
InChIInChI=1S/C7H5BrFIO/c8-7-4(3-11)6(10)2-1-5(7)9/h1-2,11H,3H2
InChIKeyAXBBFXGLYFROSX-UHFFFAOYSA-N
MW330.92 g/mol
LogP2.69
Rot. Bonds1

About (2-bromo-3-fluoro-6-iodophenyl)methanol

(2-bromo-3-fluoro-6-iodophenyl)methanol (PubChem CID 131332714) has the molecular formula C7H5BrFIO and a molecular weight of 330.92 g/mol. Its IUPAC name is (2-bromo-3-fluoro-6-iodophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-fluoro-6-iodophenyl)methanol
PubChem CID131332714
Molecular FormulaC7H5BrFIO
Molecular Weight330.92 g/mol
Exact Mass329.86
IUPAC Name(2-bromo-3-fluoro-6-iodophenyl)methanol
SMILESOCc1c(I)ccc(F)c1Br
InChIInChI=1S/C7H5BrFIO/c8-7-4(3-11)6(10)2-1-5(7)9/h1-2,11H,3H2
InChIKeyAXBBFXGLYFROSX-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.92
LogP ≤ 52.69
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

(2-bromo-3-fluoro-6-iodophenyl)methanamine
CID 171018100
3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile
CID 131342076
(3-bromo-2-fluoro-4-iodophenyl)methanol
CID 131332722
2-bromo-1,4-difluoro-3-iodobenzene
CID 50998401
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
(2-bromo-3,6-difluorophenyl)methanamine
CID 124707320
(3-bromo-2-chloro-6-fluorophenyl)methanol
CID 74892834
(2-amino-6-bromo-3-fluorophenyl)methanol
CID 71299189
(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
CID 84696348
3-ethyl-1-fluoro-2,4-diiodobenzene
CID 118802109
(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol
CID 130855107
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluoro-6-iodophenyl)methanol?
The IUPAC name of (2-bromo-3-fluoro-6-iodophenyl)methanol (CID 131332714) is (2-bromo-3-fluoro-6-iodophenyl)methanol.
What is the SMILES notation for (2-bromo-3-fluoro-6-iodophenyl)methanol?
The canonical SMILES for (2-bromo-3-fluoro-6-iodophenyl)methanol is OCc1c(I)ccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluoro-6-iodophenyl)methanol?
The InChIKey is AXBBFXGLYFROSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFIO/c8-7-4(3-11)6(10)2-1-5(7)9/h1-2,11H,3H2.
What are the key properties of (2-bromo-3-fluoro-6-iodophenyl)methanol?
(2-bromo-3-fluoro-6-iodophenyl)methanol has a molecular weight of 330.92 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluoro-6-iodophenyl)methanol is sourced from PubChem (CID 131332714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).