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

C7HBrF3IN2O — CID 118805028

IUPAC4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(OC(F)(F)F)cc(Br)c1I
InChIInChI=1S/C7HBrF3IN2O/c8-3-1-5(15-7(9,10)11)14-4(2-13)6(3)12/h1H
InChIKeyUMBBOMNINCFCIU-UHFFFAOYSA-N
MW392.90 g/mol
LogP3.22
Rot. Bonds1

About 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile

4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118805028) has the molecular formula C7HBrF3IN2O and a molecular weight of 392.90 g/mol. Its IUPAC name is 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118805028
Molecular FormulaC7HBrF3IN2O
Molecular Weight392.90 g/mol
Exact Mass391.83
IUPAC Name4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(OC(F)(F)F)cc(Br)c1I
InChIInChI=1S/C7HBrF3IN2O/c8-3-1-5(15-7(9,10)11)14-4(2-13)6(3)12/h1H
InChIKeyUMBBOMNINCFCIU-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118844616
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119009167
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095262
2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
3-amino-2-cyano-6-(trifluoromethoxy)pyridine-4-carboxamide
CID 133095263
5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095396
3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131443409
5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096047
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118805028) is 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(OC(F)(F)F)cc(Br)c1I.
What is the InChIKey of 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is UMBBOMNINCFCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF3IN2O/c8-3-1-5(15-7(9,10)11)14-4(2-13)6(3)12/h1H.
What are the key properties of 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile?
4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-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 4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118805028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).