3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine

C14H12BrF3N2 — CID 174048697

IUPAC3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine
SMILESCC(Cc1cncc(Br)c1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H12BrF3N2/c1-9(4-10-5-12(15)8-19-6-10)11-2-3-13(20-7-11)14(16,17)18/h2-3,5-9H,4H2,1H3
InChIKeyHJVDHMUYCSTEAS-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.60
Rot. Bonds3

About 3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine

3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine (PubChem CID 174048697) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine
PubChem CID174048697
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Name3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine
SMILESCC(Cc1cncc(Br)c1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H12BrF3N2/c1-9(4-10-5-12(15)8-19-6-10)11-2-3-13(20-7-11)14(16,17)18/h2-3,5-9H,4H2,1H3
InChIKeyHJVDHMUYCSTEAS-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.60
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-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine?
The IUPAC name of 3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine (CID 174048697) is 3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine.
What is the SMILES notation for 3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine?
The canonical SMILES for 3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine is CC(Cc1cncc(Br)c1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine?
The InChIKey is HJVDHMUYCSTEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c1-9(4-10-5-12(15)8-19-6-10)11-2-3-13(20-7-11)14(16,17)18/h2-3,5-9H,4H2,1H3.
What are the key properties of 3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine?
3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine has a molecular weight of 345.16 g/mol, XLogP of 4.60, 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-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine is sourced from PubChem (CID 174048697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).