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

C7HBrF3IN2O — CID 118999882

IUPAC2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)nc(Br)c1I
InChIInChI=1S/C7HBrF3IN2O/c8-6-5(12)3(2-13)1-4(14-6)15-7(9,10)11/h1H
InChIKeyGQJUJALNMMROTE-UHFFFAOYSA-N
MW392.90 g/mol
LogP3.22
Rot. Bonds1

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

2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 118999882) has the molecular formula C7HBrF3IN2O and a molecular weight of 392.90 g/mol. Its IUPAC name is 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID118999882
Molecular FormulaC7HBrF3IN2O
Molecular Weight392.90 g/mol
Exact Mass391.83
IUPAC Name2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)nc(Br)c1I
InChIInChI=1S/C7HBrF3IN2O/c8-6-5(12)3(2-13)1-4(14-6)15-7(9,10)11/h1H
InChIKeyGQJUJALNMMROTE-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'}

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Related Compounds

4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118805028
3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118850212
2-bromo-5-iodo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133094814
6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064
5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095396
5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279561
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
2,4-dibromo-6-(trifluoromethoxy)pyridin-3-amine
CID 130093565
2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025074
4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118844616
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119014677

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile (CID 118999882) is 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1cc(OC(F)(F)F)nc(Br)c1I.
What is the InChIKey of 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is GQJUJALNMMROTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF3IN2O/c8-6-5(12)3(2-13)1-4(14-6)15-7(9,10)11/h1H.
What are the key properties of 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile?
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-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 2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 118999882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).