3-bromo-4-methylpyridine;ethane

C8H12BrN — CID 143472846

IUPAC3-bromo-4-methylpyridine;ethane
SMILESCC.Cc1ccncc1Br
InChIInChI=1S/C6H6BrN.C2H6/c1-5-2-3-8-4-6(5)7;1-2/h2-4H,1H3;1-2H3
InChIKeyONRRABXOEALWPX-UHFFFAOYSA-N
MW202.09 g/mol
LogP3.18
Rot. Bonds

About 3-bromo-4-methylpyridine;ethane

3-bromo-4-methylpyridine;ethane (PubChem CID 143472846) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 3-bromo-4-methylpyridine;ethane.

Molecular Properties

Compound Name3-bromo-4-methylpyridine;ethane
PubChem CID143472846
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name3-bromo-4-methylpyridine;ethane
SMILESCC.Cc1ccncc1Br
InChIInChI=1S/C6H6BrN.C2H6/c1-5-2-3-8-4-6(5)7;1-2/h2-4H,1H3;1-2H3
InChIKeyONRRABXOEALWPX-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-4-methylpyridine;ethane 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

3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole
CID 145208025
3-bromo-4-fluoropyridine;ethane
CID 144770242
(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
CID 75406822
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
3-bromo-4-ethylpyridine
CID 13160533
3,4-dimethylpyridine;1,2-xylene
CID 158871716
5,8-dibromo-6-methylisoquinoline
CID 139034941
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
CID 104776934
4-methylpyridin-3-ol;trihydrobromide
CID 174838364
3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
CID 104777947
3-bromo-5-chloro-N-(4-methyl-3-pyridinyl)pyridin-2-amine
CID 114837095
[(3-bromo-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320516

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylpyridine;ethane?
The IUPAC name of 3-bromo-4-methylpyridine;ethane (CID 143472846) is 3-bromo-4-methylpyridine;ethane.
What is the SMILES notation for 3-bromo-4-methylpyridine;ethane?
The canonical SMILES for 3-bromo-4-methylpyridine;ethane is CC.Cc1ccncc1Br.
What is the InChIKey of 3-bromo-4-methylpyridine;ethane?
The InChIKey is ONRRABXOEALWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.C2H6/c1-5-2-3-8-4-6(5)7;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 3-bromo-4-methylpyridine;ethane?
3-bromo-4-methylpyridine;ethane has a molecular weight of 202.09 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylpyridine;ethane is sourced from PubChem (CID 143472846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).