3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine

C13H9BrF3N — CID 133098043

IUPAC3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cncc(CBr)c1-c1ccccc1
InChIInChI=1S/C13H9BrF3N/c14-6-10-7-18-8-11(13(15,16)17)12(10)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyATNFDAYQCCQPBT-UHFFFAOYSA-N
MW316.12 g/mol
LogP4.66
Rot. Bonds2

About 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine

3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine (PubChem CID 133098043) has the molecular formula C13H9BrF3N and a molecular weight of 316.12 g/mol. Its IUPAC name is 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine
PubChem CID133098043
Molecular FormulaC13H9BrF3N
Molecular Weight316.12 g/mol
Exact Mass314.99
IUPAC Name3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cncc(CBr)c1-c1ccccc1
InChIInChI=1S/C13H9BrF3N/c14-6-10-7-18-8-11(13(15,16)17)12(10)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyATNFDAYQCCQPBT-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-3-(trifluoromethyl)pyridine
CID 118704049
[2-phenyl-3-(trifluoromethyl)phenyl]methanamine
CID 46315138
3-(bromomethyl)-5-phenylpyridin-4-amine
CID 131436682
2-methyl-4-phenyl-5-(trifluoromethyl)pyridin-3-amine
CID 174629895
(5-fluoro-4-phenyl-3-pyridinyl)methanol
CID 131556455
5-(bromomethyl)-4-(trifluoromethyl)pyridin-3-ol
CID 131118032
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465
4-bromo-3,5-bis(trifluoromethyl)pyridine
CID 131530790
2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131307198
2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine
CID 133094917
2-(bromomethyl)-5-pyridin-3-yl-3-(trifluoromethyl)pyridine
CID 131869904
5-fluoro-4-phenylpyridine-3-thiol
CID 130924467

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine (CID 133098043) is 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine is FC(F)(F)c1cncc(CBr)c1-c1ccccc1.
What is the InChIKey of 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine?
The InChIKey is ATNFDAYQCCQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N/c14-6-10-7-18-8-11(13(15,16)17)12(10)9-4-2-1-3-5-9/h1-5,7-8H,6H2.
What are the key properties of 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine?
3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine has a molecular weight of 316.12 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 133098043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).