4-bromo-3-iodopyridine-2,6-diamine

C5H5BrIN3 — CID 166520825

IUPAC4-bromo-3-iodopyridine-2,6-diamine
SMILESNc1cc(Br)c(I)c(N)n1
InChIInChI=1S/C5H5BrIN3/c6-2-1-3(8)10-5(9)4(2)7/h1H,(H4,8,9,10)
InChIKeyFWBYPVCQCVMAJI-UHFFFAOYSA-N
MW313.92 g/mol
LogP1.61
Rot. Bonds

About 4-bromo-3-iodopyridine-2,6-diamine

4-bromo-3-iodopyridine-2,6-diamine (PubChem CID 166520825) has the molecular formula C5H5BrIN3 and a molecular weight of 313.92 g/mol. Its IUPAC name is 4-bromo-3-iodopyridine-2,6-diamine.

Molecular Properties

Compound Name4-bromo-3-iodopyridine-2,6-diamine
PubChem CID166520825
Molecular FormulaC5H5BrIN3
Molecular Weight313.92 g/mol
Exact Mass312.87
IUPAC Name4-bromo-3-iodopyridine-2,6-diamine
SMILESNc1cc(Br)c(I)c(N)n1
InChIInChI=1S/C5H5BrIN3/c6-2-1-3(8)10-5(9)4(2)7/h1H,(H4,8,9,10)
InChIKeyFWBYPVCQCVMAJI-UHFFFAOYSA-N
XLogP1.61
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 51.61
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

4-bromopyridine-2,3,6-triamine;4-chloroaniline
CID 145039491
4-bromo-6-hydrazinylpyridine-2,5-diamine
CID 126676407
6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
3,6-dibromo-7-iodoquinolin-2-amine
CID 171363911
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridin-2-amine
CID 130101856
6-(aminomethyl)-2-bromopyrimidin-4-amine
CID 83852139
2-(3-bromo-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 105410430
5,6-dibromopyridazin-3-amine
CID 174782025
3-bromo-7-iodoquinolin-2-amine
CID 126637464
4-bromo-6-(difluoromethyl)-5-methylpyridin-2-amine
CID 130101783
3,4-dimethylpyridine-2,6-diamine
CID 23049439
5-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-2-amine
CID 131369755

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodopyridine-2,6-diamine?
The IUPAC name of 4-bromo-3-iodopyridine-2,6-diamine (CID 166520825) is 4-bromo-3-iodopyridine-2,6-diamine.
What is the SMILES notation for 4-bromo-3-iodopyridine-2,6-diamine?
The canonical SMILES for 4-bromo-3-iodopyridine-2,6-diamine is Nc1cc(Br)c(I)c(N)n1.
What is the InChIKey of 4-bromo-3-iodopyridine-2,6-diamine?
The InChIKey is FWBYPVCQCVMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrIN3/c6-2-1-3(8)10-5(9)4(2)7/h1H,(H4,8,9,10).
What are the key properties of 4-bromo-3-iodopyridine-2,6-diamine?
4-bromo-3-iodopyridine-2,6-diamine has a molecular weight of 313.92 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodopyridine-2,6-diamine is sourced from PubChem (CID 166520825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).