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

C8H4BrF3N2O — CID 131613573

IUPAC5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1nc(OC(F)(F)F)c(C#N)cc1Br
InChIInChI=1S/C8H4BrF3N2O/c1-4-6(9)2-5(3-13)7(14-4)15-8(10,11)12/h2H,1H3
InChIKeyNDNZSIUBMCSGQF-UHFFFAOYSA-N
MW281.03 g/mol
LogP2.92
Rot. Bonds1

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

5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131613573) has the molecular formula C8H4BrF3N2O and a molecular weight of 281.03 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131613573
Molecular FormulaC8H4BrF3N2O
Molecular Weight281.03 g/mol
Exact Mass279.95
IUPAC Name5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1nc(OC(F)(F)F)c(C#N)cc1Br
InChIInChI=1S/C8H4BrF3N2O/c1-4-6(9)2-5(3-13)7(14-4)15-8(10,11)12/h2H,1H3
InChIKeyNDNZSIUBMCSGQF-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

5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095396
3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
CID 130960982
5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096047
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448
5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279561
2-bromo-5-iodo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133094814
6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118839308
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095331
3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131443409
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131613573) is 5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile is Cc1nc(OC(F)(F)F)c(C#N)cc1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is NDNZSIUBMCSGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O/c1-4-6(9)2-5(3-13)7(14-4)15-8(10,11)12/h2H,1H3.
What are the key properties of 5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile?
5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-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-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131613573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).