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

C7H2BrF3N2O — CID 130089316

IUPAC6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H2BrF3N2O/c8-6-2-1-5(4(3-12)13-6)14-7(9,10)11/h1-2H
InChIKeyNXGZLQCFEJEFKE-UHFFFAOYSA-N
MW267.00 g/mol
LogP2.61
Rot. Bonds1

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

6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 130089316) has the molecular formula C7H2BrF3N2O and a molecular weight of 267.00 g/mol. Its IUPAC name is 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID130089316
Molecular FormulaC7H2BrF3N2O
Molecular Weight267.00 g/mol
Exact Mass265.93
IUPAC Name6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H2BrF3N2O/c8-6-2-1-5(4(3-12)13-6)14-7(9,10)11/h1-2H
InChIKeyNXGZLQCFEJEFKE-UHFFFAOYSA-N
XLogP2.61
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.00
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 130089316) is 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is NXGZLQCFEJEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF3N2O/c8-6-2-1-5(4(3-12)13-6)14-7(9,10)11/h1-2H.
What are the key properties of 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile?
6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 267.00 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 130089316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).