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

C11H8Br2IN3 — CID 114258679

IUPAC5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1Nc1cc(Br)ccc1I
InChIInChI=1S/C11H8Br2IN3/c12-6-1-2-8(14)10(3-6)17-11-7(13)4-16-5-9(11)15/h1-5H,15H2,(H,16,17)
InChIKeySXETWRUNTPFNED-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.54
Rot. Bonds2

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

5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine (PubChem CID 114258679) has the molecular formula C11H8Br2IN3 and a molecular weight of 468.92 g/mol. Its IUPAC name is 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine
PubChem CID114258679
Molecular FormulaC11H8Br2IN3
Molecular Weight468.92 g/mol
Exact Mass466.81
IUPAC Name5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1Nc1cc(Br)ccc1I
InChIInChI=1S/C11H8Br2IN3/c12-6-1-2-8(14)10(3-6)17-11-7(13)4-16-5-9(11)15/h1-5H,15H2,(H,16,17)
InChIKeySXETWRUNTPFNED-UHFFFAOYSA-N
XLogP4.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.54
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

2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
CID 114002435
2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine
CID 114258648
4-[(3-amino-5-bromo-4-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003347
5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103517614
5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103518284
5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine
CID 103517968
N-(5-bromo-2-iodophenyl)formamide
CID 130498570
6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile
CID 114260197
5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine
CID 103518059
4-N-(5-bromo-2-iodophenyl)-5-ethylpyrimidine-4,6-diamine
CID 114261736
6-bromo-4-N-(5-bromo-2-fluorophenyl)quinoline-3,4-diamine
CID 43621343
6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide
CID 114261542

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine (CID 114258679) is 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine is Nc1cncc(Br)c1Nc1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine?
The InChIKey is SXETWRUNTPFNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2IN3/c12-6-1-2-8(14)10(3-6)17-11-7(13)4-16-5-9(11)15/h1-5H,15H2,(H,16,17).
What are the key properties of 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine?
5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine has a molecular weight of 468.92 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine is sourced from PubChem (CID 114258679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).