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

C8H4BrF3N2O — CID 133096047

IUPAC5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCc1cc(Br)c(OC(F)(F)F)nc1C#N
InChIInChI=1S/C8H4BrF3N2O/c1-4-2-5(9)7(14-6(4)3-13)15-8(10,11)12/h2H,1H3
InChIKeyJGPFBOGZXNWNQO-UHFFFAOYSA-N
MW281.03 g/mol
LogP2.92
Rot. Bonds1

About 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile

5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 133096047) has the molecular formula C8H4BrF3N2O and a molecular weight of 281.03 g/mol. Its IUPAC name is 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID133096047
Molecular FormulaC8H4BrF3N2O
Molecular Weight281.03 g/mol
Exact Mass279.95
IUPAC Name5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESCc1cc(Br)c(OC(F)(F)F)nc1C#N
InChIInChI=1S/C8H4BrF3N2O/c1-4-2-5(9)7(14-6(4)3-13)15-8(10,11)12/h2H,1H3
InChIKeyJGPFBOGZXNWNQO-UHFFFAOYSA-N
XLogP2.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.03
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131443409
5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131613573
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333
3-bromo-6-chloro-5-methylpyridine-2-carbonitrile
CID 86652350
5-bromo-3-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 131011038
4-bromo-3-iodo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118805028
5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095396
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
ethyl 5-amino-6-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096574
3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
CID 130960982

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 133096047) is 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile is Cc1cc(Br)c(OC(F)(F)F)nc1C#N.
What is the InChIKey of 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is JGPFBOGZXNWNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O/c1-4-2-5(9)7(14-6(4)3-13)15-8(10,11)12/h2H,1H3.
What are the key properties of 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile?
5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 281.03 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 133096047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).