5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine

C12H10BrIN2O — CID 104507301

IUPAC5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2cccc(I)c2)c1Br
InChIInChI=1S/C12H10BrIN2O/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-3-8(14)5-9/h2-6H,15H2,1H3
InChIKeySRWMHBXJQKFXGT-UHFFFAOYSA-N
MW405.03 g/mol
LogP4.13
Rot. Bonds2

About 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine

5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine (PubChem CID 104507301) has the molecular formula C12H10BrIN2O and a molecular weight of 405.03 g/mol. Its IUPAC name is 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
PubChem CID104507301
Molecular FormulaC12H10BrIN2O
Molecular Weight405.03 g/mol
Exact Mass403.90
IUPAC Name5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2cccc(I)c2)c1Br
InChIInChI=1S/C12H10BrIN2O/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-3-8(14)5-9/h2-6H,15H2,1H3
InChIKeySRWMHBXJQKFXGT-UHFFFAOYSA-N
XLogP4.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.03
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine 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

5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 104507270
5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 104507282
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine
CID 104507278
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
CID 104507271
5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 116688640
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107712102
5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104507226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine (CID 104507301) is 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine is Cc1c(N)cnc(Oc2cccc(I)c2)c1Br.
What is the InChIKey of 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine?
The InChIKey is SRWMHBXJQKFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-3-8(14)5-9/h2-6H,15H2,1H3.
What are the key properties of 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine?
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine has a molecular weight of 405.03 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 104507301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).