2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile

C14H10BrFN2O — CID 81331685

IUPAC2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H10BrFN2O/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3
InChIKeyWJRJAOMDCORTIL-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.26
Rot. Bonds2

About 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile

2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 81331685) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID81331685
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H10BrFN2O/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3
InChIKeyWJRJAOMDCORTIL-UHFFFAOYSA-N
XLogP4.26
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile (CID 81331685) is 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2cc(F)cc(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is WJRJAOMDCORTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 321.15 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81331685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).