(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine

C10H12BrN — CID 143938742

IUPAC(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine
SMILESC=C/C=C1/C(C)=CC(Br)=CN1C
InChIInChI=1S/C10H12BrN/c1-4-5-10-8(2)6-9(11)7-12(10)3/h4-7H,1H2,2-3H3/b10-5-
InChIKeyFAETXGRMMRBPER-YHYXMXQVSA-N
MW226.12 g/mol
LogP3.18
Rot. Bonds1

About (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine

(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine (PubChem CID 143938742) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine.

Molecular Properties

Compound Name(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine
PubChem CID143938742
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine
SMILESC=C/C=C1/C(C)=CC(Br)=CN1C
InChIInChI=1S/C10H12BrN/c1-4-5-10-8(2)6-9(11)7-12(10)3/h4-7H,1H2,2-3H3/b10-5-
InChIKeyFAETXGRMMRBPER-YHYXMXQVSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310
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
1,1-Dimethylcyclopenta[b]pyridin-1-ium chloride
CID 18916585
1,1-Dimethylcyclopenta[b]pyridin-1-ium iodide
CID 18916601
1,2,2,3-Tetramethylpyridine
CID 20155883
1,5-Dimethyl-2-methylidenepyridine
CID 20671513
1,3,5-Trimethyl-2-methylidenepyridine
CID 20677165
1-ethenyl-3,5-dimethyl-2H-pyridine
CID 23183597
1-Methyl-5,6-dihydroindole
CID 54289923
6-Methyl-2,3-dihydroindolizine
CID 58139913
6-methyl-5-methylidene-1H-indolizine
CID 59284223

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine?
The IUPAC name of (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine (CID 143938742) is (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine.
What is the SMILES notation for (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine?
The canonical SMILES for (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine is C=C/C=C1/C(C)=CC(Br)=CN1C.
What is the InChIKey of (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine?
The InChIKey is FAETXGRMMRBPER-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H12BrN/c1-4-5-10-8(2)6-9(11)7-12(10)3/h4-7H,1H2,2-3H3/b10-5-.
What are the key properties of (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine?
(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine has a molecular weight of 226.12 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine is sourced from PubChem (CID 143938742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).