5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile

C7HBrF3IN2O — CID 133095396

IUPAC5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)c(I)nc1OC(F)(F)F
InChIInChI=1S/C7HBrF3IN2O/c8-4-1-3(2-13)6(14-5(4)12)15-7(9,10)11/h1H
InChIKeyIMYCZWZJDBRRBI-UHFFFAOYSA-N
MW392.90 g/mol
LogP3.22
Rot. Bonds1

About 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile

5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133095396) has the molecular formula C7HBrF3IN2O and a molecular weight of 392.90 g/mol. Its IUPAC name is 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133095396
Molecular FormulaC7HBrF3IN2O
Molecular Weight392.90 g/mol
Exact Mass391.83
IUPAC Name5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)c(I)nc1OC(F)(F)F
InChIInChI=1S/C7HBrF3IN2O/c8-4-1-3(2-13)6(14-5(4)12)15-7(9,10)11/h1H
InChIKeyIMYCZWZJDBRRBI-UHFFFAOYSA-N
XLogP3.22
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-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

5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131613573
2-bromo-5-iodo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133094814
6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448
5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279561
5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095331
4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118805028
5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096047
3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131443409
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133095396) is 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cc(Br)c(I)nc1OC(F)(F)F.
What is the InChIKey of 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is IMYCZWZJDBRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF3IN2O/c8-4-1-3(2-13)6(14-5(4)12)15-7(9,10)11/h1H.
What are the key properties of 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile?
5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 392.90 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133095396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).