5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine

C11H15BrFN — CID 155130356

IUPAC5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine
SMILESCC(C)=C(C)N1C=C(Br)C(F)=CC1C
InChIInChI=1S/C11H15BrFN/c1-7(2)9(4)14-6-10(12)11(13)5-8(14)3/h5-6,8H,1-4H3
InChIKeyNAJIWKUOVCKMFO-UHFFFAOYSA-N
MW260.15 g/mol
LogP4.09
Rot. Bonds1

About 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine

5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine (PubChem CID 155130356) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine
PubChem CID155130356
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine
SMILESCC(C)=C(C)N1C=C(Br)C(F)=CC1C
InChIInChI=1S/C11H15BrFN/c1-7(2)9(4)14-6-10(12)11(13)5-8(14)3/h5-6,8H,1-4H3
InChIKeyNAJIWKUOVCKMFO-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine?
The IUPAC name of 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine (CID 155130356) is 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine.
What is the SMILES notation for 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine?
The canonical SMILES for 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine is CC(C)=C(C)N1C=C(Br)C(F)=CC1C.
What is the InChIKey of 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine?
The InChIKey is NAJIWKUOVCKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-7(2)9(4)14-6-10(12)11(13)5-8(14)3/h5-6,8H,1-4H3.
What are the key properties of 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine?
5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine has a molecular weight of 260.15 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine is sourced from PubChem (CID 155130356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).