5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile

C8H4BrF3N2O — CID 131614647

IUPAC5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1ncc(Br)c(OC(F)(F)F)c1C#N
InChIInChI=1S/C8H4BrF3N2O/c1-4-5(2-13)7(6(9)3-14-4)15-8(10,11)12/h3H,1H3
InChIKeyQGPLUXFWVWIVHB-UHFFFAOYSA-N
MW281.03 g/mol
LogP2.92
Rot. Bonds1

About 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile

5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131614647) has the molecular formula C8H4BrF3N2O and a molecular weight of 281.03 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131614647
Molecular FormulaC8H4BrF3N2O
Molecular Weight281.03 g/mol
Exact Mass279.95
IUPAC Name5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESCc1ncc(Br)c(OC(F)(F)F)c1C#N
InChIInChI=1S/C8H4BrF3N2O/c1-4-5(2-13)7(6(9)3-14-4)15-8(10,11)12/h3H,1H3
InChIKeyQGPLUXFWVWIVHB-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

4-bromo-2-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
2-[5-methoxy-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134678583
5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091836
5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine
CID 130093472
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131613573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131614647) is 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile is Cc1ncc(Br)c(OC(F)(F)F)c1C#N.
What is the InChIKey of 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is QGPLUXFWVWIVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O/c1-4-5(2-13)7(6(9)3-14-4)15-8(10,11)12/h3H,1H3.
What are the key properties of 5-bromo-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile?
5-bromo-2-methyl-4-(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-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131614647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).