2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C8H4BrF3N2 — CID 170598975

IUPAC2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(Br)n1
InChIInChI=1S/C8H4BrF3N2/c1-4-2-6(8(10,11)12)5(3-13)7(9)14-4/h2H,1H3
InChIKeyOUOFLXFIVUFVTQ-UHFFFAOYSA-N
MW265.03 g/mol
LogP3.04
Rot. Bonds

About 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 170598975) has the molecular formula C8H4BrF3N2 and a molecular weight of 265.03 g/mol. Its IUPAC name is 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID170598975
Molecular FormulaC8H4BrF3N2
Molecular Weight265.03 g/mol
Exact Mass263.95
IUPAC Name2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(Br)n1
InChIInChI=1S/C8H4BrF3N2/c1-4-2-6(8(10,11)12)5(3-13)7(9)14-4/h2H,1H3
InChIKeyOUOFLXFIVUFVTQ-UHFFFAOYSA-N
XLogP3.04
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 170598975) is 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)c(C#N)c(Br)n1.
What is the InChIKey of 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OUOFLXFIVUFVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2/c1-4-2-6(8(10,11)12)5(3-13)7(9)14-4/h2H,1H3.
What are the key properties of 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 265.03 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 170598975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).