5-bromo-1-methyl-2-methylidenepyridine

C7H8BrN — CID 123888254

IUPAC5-bromo-1-methyl-2-methylidenepyridine
SMILESC=C1C=CC(Br)=CN1C
InChIInChI=1S/C7H8BrN/c1-6-3-4-7(8)5-9(6)2/h3-5H,1H2,2H3
InChIKeyMPDGLZQRAMWTND-UHFFFAOYSA-N
MW186.05 g/mol
LogP2.24
Rot. Bonds

About 5-bromo-1-methyl-2-methylidenepyridine

5-bromo-1-methyl-2-methylidenepyridine (PubChem CID 123888254) has the molecular formula C7H8BrN and a molecular weight of 186.05 g/mol. Its IUPAC name is 5-bromo-1-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name5-bromo-1-methyl-2-methylidenepyridine
PubChem CID123888254
Molecular FormulaC7H8BrN
Molecular Weight186.05 g/mol
Exact Mass184.98
IUPAC Name5-bromo-1-methyl-2-methylidenepyridine
SMILESC=C1C=CC(Br)=CN1C
InChIInChI=1S/C7H8BrN/c1-6-3-4-7(8)5-9(6)2/h3-5H,1H2,2H3
InChIKeyMPDGLZQRAMWTND-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-methylidenepyridine
CID 14963017
4-Bromo-1-(difluoromethyl)-2-methylidenepyridine
CID 166906320
5-Bromo-2-ethylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 145669859
2-bromo-1-ethyl-2H-pyridine
CID 411856
2-bromo-1-methyl-2H-pyridine
CID 19815833
(+/-)-1-(1-Bromoethyl)pyridine
CID 23094006
(2Z)-2-ethylidene-1-methylpyridine
CID 45087094
6-bromo-1-ethyl-2H-pyridine
CID 53971965
6-bromo-1-methyl-2H-pyridine
CID 56610307
6-bromo-1-propan-2-yl-2H-pyridine
CID 56631621
(2E)-2-ethylidenepyridin-1-ide
CID 58833494
5-bromo-1-methyl-2H-pyridine
CID 66648383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2-methylidenepyridine?
The IUPAC name of 5-bromo-1-methyl-2-methylidenepyridine (CID 123888254) is 5-bromo-1-methyl-2-methylidenepyridine.
What is the SMILES notation for 5-bromo-1-methyl-2-methylidenepyridine?
The canonical SMILES for 5-bromo-1-methyl-2-methylidenepyridine is C=C1C=CC(Br)=CN1C.
What is the InChIKey of 5-bromo-1-methyl-2-methylidenepyridine?
The InChIKey is MPDGLZQRAMWTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN/c1-6-3-4-7(8)5-9(6)2/h3-5H,1H2,2H3.
What are the key properties of 5-bromo-1-methyl-2-methylidenepyridine?
5-bromo-1-methyl-2-methylidenepyridine has a molecular weight of 186.05 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2-methylidenepyridine is sourced from PubChem (CID 123888254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).