3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine

C10H11BrF3N — CID 135317689

IUPAC3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine
SMILESCCC(Br)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C10H11BrF3N/c1-3-8(11)7-4-5-9(10(12,13)14)15-6(7)2/h4-5,8H,3H2,1-2H3
InChIKeyUANHWSATMPPTOV-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.25
Rot. Bonds2

About 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine

3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine (PubChem CID 135317689) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine
PubChem CID135317689
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine
SMILESCCC(Br)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C10H11BrF3N/c1-3-8(11)7-4-5-9(10(12,13)14)15-6(7)2/h4-5,8H,3H2,1-2H3
InChIKeyUANHWSATMPPTOV-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine (CID 135317689) is 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine is CCC(Br)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is UANHWSATMPPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-3-8(11)7-4-5-9(10(12,13)14)15-6(7)2/h4-5,8H,3H2,1-2H3.
What are the key properties of 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine?
3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 282.10 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromopropyl)-2-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 135317689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).