3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile

C12H8BrIN4 — CID 114261881

IUPAC3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(I)c(Br)c2)c1N
InChIInChI=1S/C12H8BrIN4/c13-9-5-8(1-2-10(9)14)18-12-11(16)7(6-15)3-4-17-12/h1-5H,16H2,(H,17,18)
InChIKeyOTTLTMOJKHWURB-UHFFFAOYSA-N
MW415.03 g/mol
LogP3.65
Rot. Bonds2

About 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile

3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile (PubChem CID 114261881) has the molecular formula C12H8BrIN4 and a molecular weight of 415.03 g/mol. Its IUPAC name is 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
PubChem CID114261881
Molecular FormulaC12H8BrIN4
Molecular Weight415.03 g/mol
Exact Mass413.90
IUPAC Name3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(I)c(Br)c2)c1N
InChIInChI=1S/C12H8BrIN4/c13-9-5-8(1-2-10(9)14)18-12-11(16)7(6-15)3-4-17-12/h1-5H,16H2,(H,17,18)
InChIKeyOTTLTMOJKHWURB-UHFFFAOYSA-N
XLogP3.65
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.03
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile 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

3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
CID 82813369
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
CID 82817679
2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114262113
3-amino-2-[4-(cyanomethyl)anilino]pyridine-4-carbonitrile
CID 82817545
3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
CID 82816909
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363
3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
CID 82817698
3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid
CID 114261364
4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
CID 114262803
2-(3-bromo-4-iodoanilino)pyridine-4-carbothioamide
CID 114262123
3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 82817119
3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
CID 107056883

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile (CID 114261881) is 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccc(I)c(Br)c2)c1N.
What is the InChIKey of 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile?
The InChIKey is OTTLTMOJKHWURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIN4/c13-9-5-8(1-2-10(9)14)18-12-11(16)7(6-15)3-4-17-12/h1-5H,16H2,(H,17,18).
What are the key properties of 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile?
3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile has a molecular weight of 415.03 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 114261881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).