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

C7H6BrFIN — CID 171018361

IUPAC(6-bromo-2-fluoro-3-iodophenyl)methanamine
SMILESNCc1c(Br)ccc(I)c1F
InChIInChI=1S/C7H6BrFIN/c8-5-1-2-6(10)7(9)4(5)3-11/h1-2H,3,11H2
InChIKeyMOQHGMDHUWLGBF-UHFFFAOYSA-N
MW329.94 g/mol
LogP2.65
Rot. Bonds1

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

(6-bromo-2-fluoro-3-iodophenyl)methanamine (PubChem CID 171018361) has the molecular formula C7H6BrFIN and a molecular weight of 329.94 g/mol. Its IUPAC name is (6-bromo-2-fluoro-3-iodophenyl)methanamine.

Molecular Properties

Compound Name(6-bromo-2-fluoro-3-iodophenyl)methanamine
PubChem CID171018361
Molecular FormulaC7H6BrFIN
Molecular Weight329.94 g/mol
Exact Mass328.87
IUPAC Name(6-bromo-2-fluoro-3-iodophenyl)methanamine
SMILESNCc1c(Br)ccc(I)c1F
InChIInChI=1S/C7H6BrFIN/c8-5-1-2-6(10)7(9)4(5)3-11/h1-2H,3,11H2
InChIKeyMOQHGMDHUWLGBF-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.94
LogP ≤ 52.65
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'}

Analyze (6-bromo-2-fluoro-3-iodophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-(bromomethyl)-3-fluoro-4-iodobenzene
CID 131331874
2-(6-bromo-2-fluoro-3-iodophenyl)acetic acid
CID 131621169
[6-bromo-3-iodo-2-(trifluoromethyl)phenyl]methanamine
CID 171019356
(2-bromo-3-fluoro-6-iodophenyl)methanamine
CID 171018100
2-(3-bromo-2-fluoro-6-iodophenyl)acetonitrile
CID 131100566
(2-fluoro-3-iodophenyl)methanamine
CID 71042623
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
2-ethyl-1,3-difluoro-4-iodobenzene
CID 149278031
2-bromo-1-(bromomethyl)-3-fluoro-4-iodobenzene
CID 98041507
(3,6-difluoro-2-iodophenyl)methanamine
CID 171014963
(2,6-diiodophenyl)methanamine
CID 165176750
(2-bromo-3,6-difluorophenyl)methanamine
CID 124707320

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-fluoro-3-iodophenyl)methanamine?
The IUPAC name of (6-bromo-2-fluoro-3-iodophenyl)methanamine (CID 171018361) is (6-bromo-2-fluoro-3-iodophenyl)methanamine.
What is the SMILES notation for (6-bromo-2-fluoro-3-iodophenyl)methanamine?
The canonical SMILES for (6-bromo-2-fluoro-3-iodophenyl)methanamine is NCc1c(Br)ccc(I)c1F.
What is the InChIKey of (6-bromo-2-fluoro-3-iodophenyl)methanamine?
The InChIKey is MOQHGMDHUWLGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFIN/c8-5-1-2-6(10)7(9)4(5)3-11/h1-2H,3,11H2.
What are the key properties of (6-bromo-2-fluoro-3-iodophenyl)methanamine?
(6-bromo-2-fluoro-3-iodophenyl)methanamine has a molecular weight of 329.94 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-fluoro-3-iodophenyl)methanamine is sourced from PubChem (CID 171018361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).