3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine

C10H11BrF3NO — CID 70978803

IUPAC3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine
SMILESCC(C)C(OC(F)(F)F)c1cncc(Br)c1
InChIInChI=1S/C10H11BrF3NO/c1-6(2)9(16-10(12,13)14)7-3-8(11)5-15-4-7/h3-6,9H,1-2H3
InChIKeyBXPBAVCPKGDHCI-UHFFFAOYSA-N
MW298.10 g/mol
LogP4.08
Rot. Bonds3

About 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine

3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine (PubChem CID 70978803) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine
PubChem CID70978803
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine
SMILESCC(C)C(OC(F)(F)F)c1cncc(Br)c1
InChIInChI=1S/C10H11BrF3NO/c1-6(2)9(16-10(12,13)14)7-3-8(11)5-15-4-7/h3-6,9H,1-2H3
InChIKeyBXPBAVCPKGDHCI-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine?
The IUPAC name of 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine (CID 70978803) is 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine.
What is the SMILES notation for 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine?
The canonical SMILES for 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine is CC(C)C(OC(F)(F)F)c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine?
The InChIKey is BXPBAVCPKGDHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-6(2)9(16-10(12,13)14)7-3-8(11)5-15-4-7/h3-6,9H,1-2H3.
What are the key properties of 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine?
3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine has a molecular weight of 298.10 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-methyl-1-(trifluoromethoxy)propyl]pyridine is sourced from PubChem (CID 70978803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).