4-bromo-1-methyl-2-methylidenepyridine

C7H8BrN — CID 123656555

IUPAC4-bromo-1-methyl-2-methylidenepyridine
SMILESC=C1C=C(Br)C=CN1C
InChIInChI=1S/C7H8BrN/c1-6-5-7(8)3-4-9(6)2/h3-5H,1H2,2H3
InChIKeyPRWJCVZNJMTUAE-UHFFFAOYSA-N
MW186.05 g/mol
LogP2.24
Rot. Bonds

About 4-bromo-1-methyl-2-methylidenepyridine

4-bromo-1-methyl-2-methylidenepyridine (PubChem CID 123656555) has the molecular formula C7H8BrN and a molecular weight of 186.05 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name4-bromo-1-methyl-2-methylidenepyridine
PubChem CID123656555
Molecular FormulaC7H8BrN
Molecular Weight186.05 g/mol
Exact Mass184.98
IUPAC Name4-bromo-1-methyl-2-methylidenepyridine
SMILESC=C1C=C(Br)C=CN1C
InChIInChI=1S/C7H8BrN/c1-6-5-7(8)3-4-9(6)2/h3-5H,1H2,2H3
InChIKeyPRWJCVZNJMTUAE-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-methylidenepyridine?
The IUPAC name of 4-bromo-1-methyl-2-methylidenepyridine (CID 123656555) is 4-bromo-1-methyl-2-methylidenepyridine.
What is the SMILES notation for 4-bromo-1-methyl-2-methylidenepyridine?
The canonical SMILES for 4-bromo-1-methyl-2-methylidenepyridine is C=C1C=C(Br)C=CN1C.
What is the InChIKey of 4-bromo-1-methyl-2-methylidenepyridine?
The InChIKey is PRWJCVZNJMTUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN/c1-6-5-7(8)3-4-9(6)2/h3-5H,1H2,2H3.
What are the key properties of 4-bromo-1-methyl-2-methylidenepyridine?
4-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 4-bromo-1-methyl-2-methylidenepyridine is sourced from PubChem (CID 123656555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).