6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine

C11H7BrCl2IN3 — CID 114261721

IUPAC6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine
SMILESNc1nc(Nc2ccc(I)cc2Br)c(Cl)cc1Cl
InChIInChI=1S/C11H7BrCl2IN3/c12-6-3-5(15)1-2-9(6)17-11-8(14)4-7(13)10(16)18-11/h1-4H,(H3,16,17,18)
InChIKeyYQZIUUCGQDBGGE-UHFFFAOYSA-N
MW458.91 g/mol
LogP5.08
Rot. Bonds2

About 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine

6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine (PubChem CID 114261721) has the molecular formula C11H7BrCl2IN3 and a molecular weight of 458.91 g/mol. Its IUPAC name is 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine
PubChem CID114261721
Molecular FormulaC11H7BrCl2IN3
Molecular Weight458.91 g/mol
Exact Mass456.82
IUPAC Name6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine
SMILESNc1nc(Nc2ccc(I)cc2Br)c(Cl)cc1Cl
InChIInChI=1S/C11H7BrCl2IN3/c12-6-3-5(15)1-2-9(6)17-11-8(14)4-7(13)10(16)18-11/h1-4H,(H3,16,17,18)
InChIKeyYQZIUUCGQDBGGE-UHFFFAOYSA-N
XLogP5.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.91
LogP ≤ 55.08
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

N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 130499509
3,5-dichloro-6-N-(2-chloro-4-fluorophenyl)pyridine-2,6-diamine
CID 102754342
6-N-(4-bromophenyl)-3,5-dichloropyridine-2,6-diamine
CID 102755131
N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
CID 102749919
3-bromo-4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]benzonitrile
CID 107795514
3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine
CID 114258206
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine
CID 102755142
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine
CID 102756297
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
3,5-dichloro-6-N-(3,4-difluorophenyl)pyridine-2,6-diamine
CID 102755062

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine?
The IUPAC name of 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine (CID 114261721) is 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine is Nc1nc(Nc2ccc(I)cc2Br)c(Cl)cc1Cl.
What is the InChIKey of 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine?
The InChIKey is YQZIUUCGQDBGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2IN3/c12-6-3-5(15)1-2-9(6)17-11-8(14)4-7(13)10(16)18-11/h1-4H,(H3,16,17,18).
What are the key properties of 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine?
6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine has a molecular weight of 458.91 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine is sourced from PubChem (CID 114261721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).