4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine

C15H15BrFN — CID 113396078

IUPAC4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine
SMILESCc1cc(F)cc(C(Br)C(C)c2ccncc2)c1
InChIInChI=1S/C15H15BrFN/c1-10-7-13(9-14(17)8-10)15(16)11(2)12-3-5-18-6-4-12/h3-9,11,15H,1-2H3
InChIKeyMJDMYNOECABQEC-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.77
Rot. Bonds3

About 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine

4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine (PubChem CID 113396078) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine
PubChem CID113396078
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine
SMILESCc1cc(F)cc(C(Br)C(C)c2ccncc2)c1
InChIInChI=1S/C15H15BrFN/c1-10-7-13(9-14(17)8-10)15(16)11(2)12-3-5-18-6-4-12/h3-9,11,15H,1-2H3
InChIKeyMJDMYNOECABQEC-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.77
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-[1-bromo-1-(3-chloro-4-fluorophenyl)propan-2-yl]pyridine
CID 82879487
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine
CID 81488562
4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
CID 66453944
1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 113460863
4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
CID 66453308
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 66461487
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447347
4-[(1S,2S)-1,2-dibromo-2-pyridin-4-ylethyl]pyridine
CID 129396706
1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol
CID 81118052

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine (CID 113396078) is 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine is Cc1cc(F)cc(C(Br)C(C)c2ccncc2)c1.
What is the InChIKey of 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine?
The InChIKey is MJDMYNOECABQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-7-13(9-14(17)8-10)15(16)11(2)12-3-5-18-6-4-12/h3-9,11,15H,1-2H3.
What are the key properties of 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine?
4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine has a molecular weight of 308.19 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 113396078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).