5-(bromomethyl)-1-methyl-2-methylidenepyridine

C8H10BrN — CID 123372442

IUPAC5-(bromomethyl)-1-methyl-2-methylidenepyridine
SMILESC=C1C=CC(CBr)=CN1C
InChIInChI=1S/C8H10BrN/c1-7-3-4-8(5-9)6-10(7)2/h3-4,6H,1,5H2,2H3
InChIKeyLWPKQPZCRHZCIW-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.28
Rot. Bonds1

About 5-(bromomethyl)-1-methyl-2-methylidenepyridine

5-(bromomethyl)-1-methyl-2-methylidenepyridine (PubChem CID 123372442) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 5-(bromomethyl)-1-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name5-(bromomethyl)-1-methyl-2-methylidenepyridine
PubChem CID123372442
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name5-(bromomethyl)-1-methyl-2-methylidenepyridine
SMILESC=C1C=CC(CBr)=CN1C
InChIInChI=1S/C8H10BrN/c1-7-3-4-8(5-9)6-10(7)2/h3-4,6H,1,5H2,2H3
InChIKeyLWPKQPZCRHZCIW-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310
1,5-Dimethyl-2-methylidenepyridine
CID 20671513
1,5-bis(bromomethyl)-2H-pyridine
CID 24745023
(2Z)-1-ethenyl-2-ethylidene-3-methylpyridine
CID 68358454
(2Z)-2-[(Z)-1-bromobut-2-enylidene]-3-methylidene-1-prop-2-enylpyrrole
CID 88866359
(2Z)-1,5-dimethyl-2-propylidenepyridine
CID 89038790
(2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine
CID 89364024
5-Bromo-1,3-dimethyl-5,6-dihydroindole
CID 90879219
6-(Bromomethyl)-7,10-dimethyl-8,9-dihydropyrido[1,2-a]azepine
CID 91083457
1,5-Dimethyl-2-methylidenepyridine;ethane
CID 91398680
5-Methyl-2-methylidene-1-propylpyridine
CID 123182077
CID 123409212
CID 123409212

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1-methyl-2-methylidenepyridine?
The IUPAC name of 5-(bromomethyl)-1-methyl-2-methylidenepyridine (CID 123372442) is 5-(bromomethyl)-1-methyl-2-methylidenepyridine.
What is the SMILES notation for 5-(bromomethyl)-1-methyl-2-methylidenepyridine?
The canonical SMILES for 5-(bromomethyl)-1-methyl-2-methylidenepyridine is C=C1C=CC(CBr)=CN1C.
What is the InChIKey of 5-(bromomethyl)-1-methyl-2-methylidenepyridine?
The InChIKey is LWPKQPZCRHZCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-7-3-4-8(5-9)6-10(7)2/h3-4,6H,1,5H2,2H3.
What are the key properties of 5-(bromomethyl)-1-methyl-2-methylidenepyridine?
5-(bromomethyl)-1-methyl-2-methylidenepyridine has a molecular weight of 200.08 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-methyl-2-methylidenepyridine is sourced from PubChem (CID 123372442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).