4-bromo-3,5-dimethyl-2-propan-2-ylpyridine

C10H14BrN — CID 170078823

IUPAC4-bromo-3,5-dimethyl-2-propan-2-ylpyridine
SMILESCc1cnc(C(C)C)c(C)c1Br
InChIInChI=1S/C10H14BrN/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6H,1-4H3
InChIKeyBNXGGJBHVWMNAO-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.58
Rot. Bonds1

About 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine

4-bromo-3,5-dimethyl-2-propan-2-ylpyridine (PubChem CID 170078823) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-2-propan-2-ylpyridine
PubChem CID170078823
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-bromo-3,5-dimethyl-2-propan-2-ylpyridine
SMILESCc1cnc(C(C)C)c(C)c1Br
InChIInChI=1S/C10H14BrN/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6H,1-4H3
InChIKeyBNXGGJBHVWMNAO-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine 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

4-bromo-2,3,5-trimethylpyridine
CID 58742154
2,5-dimethyl-4-propan-2-ylpyrimidine
CID 58806234
4-bromo-2-methoxy-3,5-dimethylpyridine
CID 67811684
3,4-bis(ethenyl)-5-methyl-2-propan-2-ylpyridine
CID 145358810
5-methyl-6-propan-2-ylpyridin-3-ol
CID 134185781
7-methyl-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 139376342
trimethyl-(5-methyl-6-propan-2-yl-3-pyridinyl)silane
CID 154601779
3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane
CID 156733266
3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
CID 130069374
2,3,5-tri(propan-2-yl)pyrazine
CID 58164581
4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]
CID 144634359
3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
CID 79718137

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine?
The IUPAC name of 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine (CID 170078823) is 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine.
What is the SMILES notation for 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine?
The canonical SMILES for 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine is Cc1cnc(C(C)C)c(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine?
The InChIKey is BNXGGJBHVWMNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6H,1-4H3.
What are the key properties of 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine?
4-bromo-3,5-dimethyl-2-propan-2-ylpyridine has a molecular weight of 228.13 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-2-propan-2-ylpyridine is sourced from PubChem (CID 170078823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).