5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine

C12H16BrN — CID 144782744

IUPAC5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
SMILESC=C1C=CC(Br)=CN1/C(C)=C(\C)CC
InChIInChI=1S/C12H16BrN/c1-5-9(2)11(4)14-8-12(13)7-6-10(14)3/h6-8H,3,5H2,1-2,4H3/b11-9+
InChIKeyCITRHFKIXYONDT-PKNBQFBNSA-N
MW254.17 g/mol
LogP4.31
Rot. Bonds2

About 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine

5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine (PubChem CID 144782744) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
PubChem CID144782744
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
SMILESC=C1C=CC(Br)=CN1/C(C)=C(\C)CC
InChIInChI=1S/C12H16BrN/c1-5-9(2)11(4)14-8-12(13)7-6-10(14)3/h6-8H,3,5H2,1-2,4H3/b11-9+
InChIKeyCITRHFKIXYONDT-PKNBQFBNSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine
CID 155130356
2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310
4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782670
3-Bromo-1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine
CID 157978921
3-Bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 161297792
1,5-Dimethyl-2-methylidenepyridine
CID 20671513
1-tert-butyl-5-methyl-2H-pyridine
CID 23055570
magnesium;N,N-diethyl-3-methylbenzene-6-id-1-amine;bromide
CID 57532311
lithium N,N-diethyl-3-methylbenzene-2-id-1-amine
CID 57533067
lithium N,N-diethyl-3-methylbenzene-6-id-1-amine
CID 57534435
magnesium;N,N-diethyl-3-methylbenzene-2-id-1-amine;bromide
CID 57734627
1-Tert-butyl-4,5-dimethyl-2-methylidenepyridine
CID 58821035

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The IUPAC name of 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine (CID 144782744) is 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine.
What is the SMILES notation for 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The canonical SMILES for 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine is C=C1C=CC(Br)=CN1/C(C)=C(\C)CC.
What is the InChIKey of 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The InChIKey is CITRHFKIXYONDT-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H16BrN/c1-5-9(2)11(4)14-8-12(13)7-6-10(14)3/h6-8H,3,5H2,1-2,4H3/b11-9+.
What are the key properties of 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine has a molecular weight of 254.17 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine is sourced from PubChem (CID 144782744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).