3-(2-bromoethyl)-2,4-dimethylpyridine

C9H12BrN — CID 174721738

IUPAC3-(2-bromoethyl)-2,4-dimethylpyridine
SMILESCc1ccnc(C)c1CCBr
InChIInChI=1S/C9H12BrN/c1-7-4-6-11-8(2)9(7)3-5-10/h4,6H,3,5H2,1-2H3
InChIKeyMMJOPKANOYQQGJ-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.64
Rot. Bonds2

About 3-(2-bromoethyl)-2,4-dimethylpyridine

3-(2-bromoethyl)-2,4-dimethylpyridine (PubChem CID 174721738) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 3-(2-bromoethyl)-2,4-dimethylpyridine.

Molecular Properties

Compound Name3-(2-bromoethyl)-2,4-dimethylpyridine
PubChem CID174721738
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name3-(2-bromoethyl)-2,4-dimethylpyridine
SMILESCc1ccnc(C)c1CCBr
InChIInChI=1S/C9H12BrN/c1-7-4-6-11-8(2)9(7)3-5-10/h4,6H,3,5H2,1-2H3
InChIKeyMMJOPKANOYQQGJ-UHFFFAOYSA-N
XLogP2.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.64
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

3-(bromomethyl)-2,4-dimethylpyridine
CID 59589473
2,4-dimethyl-3-propylpyridine
CID 14197863
3-(bromomethyl)-4-chloro-2-methylpyridine
CID 130772203
2,3-bis(2-bromoethyl)-4-methylbenzenesulfonamide
CID 160915863
ethane;4-methylquinoline
CID 90853056
3-chloro-2,4-dimethylpyridine
CID 12508368
ethane;3-ethyl-N,N,4-trimethylpyridin-2-amine
CID 143815645
1,3,5-tris(2-bromoethyl)-2,4,6-trimethylbenzene
CID 87214432
3-(3-bromo-2-methylpropyl)-4-methylpyridin-2-amine
CID 64671976
2-chloro-3-ethyl-4-methylpyridine
CID 89372274
(1,6-dimethylisoquinolin-5-yl)methanol
CID 115017282
3-(chloromethyl)-2-methylpyridin-4-amine
CID 130981451

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-2,4-dimethylpyridine?
The IUPAC name of 3-(2-bromoethyl)-2,4-dimethylpyridine (CID 174721738) is 3-(2-bromoethyl)-2,4-dimethylpyridine.
What is the SMILES notation for 3-(2-bromoethyl)-2,4-dimethylpyridine?
The canonical SMILES for 3-(2-bromoethyl)-2,4-dimethylpyridine is Cc1ccnc(C)c1CCBr.
What is the InChIKey of 3-(2-bromoethyl)-2,4-dimethylpyridine?
The InChIKey is MMJOPKANOYQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7-4-6-11-8(2)9(7)3-5-10/h4,6H,3,5H2,1-2H3.
What are the key properties of 3-(2-bromoethyl)-2,4-dimethylpyridine?
3-(2-bromoethyl)-2,4-dimethylpyridine has a molecular weight of 214.11 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-2,4-dimethylpyridine is sourced from PubChem (CID 174721738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).