5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile

C7H3BrF2N2O — CID 130699081

IUPAC5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)F)c(Br)c1
InChIInChI=1S/C7H3BrF2N2O/c8-5-1-4(2-11)3-12-6(5)13-7(9)10/h1,3,7H
InChIKeyDMVZVRLGLOPSCP-UHFFFAOYSA-N
MW249.01 g/mol
LogP2.32
Rot. Bonds2

About 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile

5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile (PubChem CID 130699081) has the molecular formula C7H3BrF2N2O and a molecular weight of 249.01 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile
PubChem CID130699081
Molecular FormulaC7H3BrF2N2O
Molecular Weight249.01 g/mol
Exact Mass247.94
IUPAC Name5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)F)c(Br)c1
InChIInChI=1S/C7H3BrF2N2O/c8-5-1-4(2-11)3-12-6(5)13-7(9)10/h1,3,7H
InChIKeyDMVZVRLGLOPSCP-UHFFFAOYSA-N
XLogP2.32
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.01
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile (CID 130699081) is 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(OC(F)F)c(Br)c1.
What is the InChIKey of 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is DMVZVRLGLOPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O/c8-5-1-4(2-11)3-12-6(5)13-7(9)10/h1,3,7H.
What are the key properties of 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile?
5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 249.01 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 130699081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).