5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile

C7HBr2F3N2O — CID 133096082

IUPAC5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7HBr2F3N2O/c8-4-5(15-7(10,11)12)3(1-13)2-14-6(4)9/h2H
InChIKeyIALZMCRZGHDAOU-UHFFFAOYSA-N
MW345.90 g/mol
LogP3.38
Rot. Bonds1

About 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile

5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133096082) has the molecular formula C7HBr2F3N2O and a molecular weight of 345.90 g/mol. Its IUPAC name is 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133096082
Molecular FormulaC7HBr2F3N2O
Molecular Weight345.90 g/mol
Exact Mass343.84
IUPAC Name5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7HBr2F3N2O/c8-4-5(15-7(10,11)12)3(1-13)2-14-6(4)9/h2H
InChIKeyIALZMCRZGHDAOU-UHFFFAOYSA-N
XLogP3.38
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 53.38
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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Related Compounds

4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
4,5-dimethoxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096110
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091836
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133096082) is 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(Br)c(Br)c1OC(F)(F)F.
What is the InChIKey of 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is IALZMCRZGHDAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBr2F3N2O/c8-4-5(15-7(10,11)12)3(1-13)2-14-6(4)9/h2H.
What are the key properties of 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 345.90 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133096082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).