3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine

C12H11BrIN3 — CID 104506329

IUPAC3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(Nc2ccc(I)cc2)c1Br
InChIInChI=1S/C12H11BrIN3/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-8(14)3-5-9/h2-6H,15H2,1H3,(H,16,17)
InChIKeyHNQKJAAIGHXXMF-UHFFFAOYSA-N
MW404.05 g/mol
LogP4.08
Rot. Bonds2

About 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine

3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine (PubChem CID 104506329) has the molecular formula C12H11BrIN3 and a molecular weight of 404.05 g/mol. Its IUPAC name is 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
PubChem CID104506329
Molecular FormulaC12H11BrIN3
Molecular Weight404.05 g/mol
Exact Mass402.92
IUPAC Name3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(Nc2ccc(I)cc2)c1Br
InChIInChI=1S/C12H11BrIN3/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-8(14)3-5-9/h2-6H,15H2,1H3,(H,16,17)
InChIKeyHNQKJAAIGHXXMF-UHFFFAOYSA-N
XLogP4.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.05
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
CID 104507078
3-bromo-2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylpyridine-2,5-diamine
CID 104506322
2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 104506339
3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 113420421
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 104506309
3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 104506356
3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
3-bromo-2-N-(4-fluoro-2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 104506600
4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80763247

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine (CID 104506329) is 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine is Cc1c(N)cnc(Nc2ccc(I)cc2)c1Br.
What is the InChIKey of 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is HNQKJAAIGHXXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrIN3/c1-7-10(15)6-16-12(11(7)13)17-9-4-2-8(14)3-5-9/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine?
3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 404.05 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).