2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine

C15H13BrFN — CID 175386125

IUPAC2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine
SMILESCc1ccc(C(F)=Cc2cccc(Br)c2C)nc1
InChIInChI=1S/C15H13BrFN/c1-10-6-7-15(18-9-10)14(17)8-12-4-3-5-13(16)11(12)2/h3-9H,1-2H3
InChIKeyIJARYFWHCDHYDW-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.93
Rot. Bonds2

About 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine

2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine (PubChem CID 175386125) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine
PubChem CID175386125
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine
SMILESCc1ccc(C(F)=Cc2cccc(Br)c2C)nc1
InChIInChI=1S/C15H13BrFN/c1-10-6-7-15(18-9-10)14(17)8-12-4-3-5-13(16)11(12)2/h3-9H,1-2H3
InChIKeyIJARYFWHCDHYDW-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine?
The IUPAC name of 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine (CID 175386125) is 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine?
The canonical SMILES for 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine is Cc1ccc(C(F)=Cc2cccc(Br)c2C)nc1.
What is the InChIKey of 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine?
The InChIKey is IJARYFWHCDHYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c1-10-6-7-15(18-9-10)14(17)8-12-4-3-5-13(16)11(12)2/h3-9H,1-2H3.
What are the key properties of 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine?
2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine has a molecular weight of 306.18 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-2-methylphenyl)-1-fluoroethenyl]-5-methylpyridine is sourced from PubChem (CID 175386125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).