5-bromo-1,3-dimethyl-2H-pyridine

C7H10BrN — CID 139347531

IUPAC5-bromo-1,3-dimethyl-2H-pyridine
SMILESCC1=CC(Br)=CN(C)C1
InChIInChI=1S/C7H10BrN/c1-6-3-7(8)5-9(2)4-6/h3,5H,4H2,1-2H3
InChIKeyLEJZSUSWPVEKQE-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.11
Rot. Bonds

About 5-bromo-1,3-dimethyl-2H-pyridine

5-bromo-1,3-dimethyl-2H-pyridine (PubChem CID 139347531) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-2H-pyridine
PubChem CID139347531
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name5-bromo-1,3-dimethyl-2H-pyridine
SMILESCC1=CC(Br)=CN(C)C1
InChIInChI=1S/C7H10BrN/c1-6-3-7(8)5-9(2)4-6/h3,5H,4H2,1-2H3
InChIKeyLEJZSUSWPVEKQE-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-1,3-dimethyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine
CID 130416817
5-bromo-1-(difluoromethyl)-3-methyl-2H-pyridine
CID 175955975
5-bromo-1-methyl-3-(trifluoromethyl)-2H-pyridine
CID 150726126
5-bromo-1-methyl-2H-pyridine
CID 66648383
3,5-dibromo-1-methyl-2H-pyridine
CID 71022405
3-bromo-1,5-dimethyl-2H-pyridine
CID 90895857
5-Bromo-3-methyl-1,2-dihydropyridine
CID 118548896
3-bromo-1-methyl-2H-pyridine
CID 121391420
5-bromo-1,3-dimethyl-1-oxido-2H-pyridin-1-ium
CID 122553645
5-Bromo-1,3-dimethyl-2-methylidenepyridine
CID 132152152
3-(bromomethyl)-1-methyl-2H-pyridine
CID 140240408
5-bromo-1-ethyl-2H-pyridine
CID 141104573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-2H-pyridine?
The IUPAC name of 5-bromo-1,3-dimethyl-2H-pyridine (CID 139347531) is 5-bromo-1,3-dimethyl-2H-pyridine.
What is the SMILES notation for 5-bromo-1,3-dimethyl-2H-pyridine?
The canonical SMILES for 5-bromo-1,3-dimethyl-2H-pyridine is CC1=CC(Br)=CN(C)C1.
What is the InChIKey of 5-bromo-1,3-dimethyl-2H-pyridine?
The InChIKey is LEJZSUSWPVEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-6-3-7(8)5-9(2)4-6/h3,5H,4H2,1-2H3.
What are the key properties of 5-bromo-1,3-dimethyl-2H-pyridine?
5-bromo-1,3-dimethyl-2H-pyridine has a molecular weight of 188.07 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-2H-pyridine is sourced from PubChem (CID 139347531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).