3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine

C10H14BrNO — CID 177369235

IUPAC3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine
SMILESCOC(C)(C)c1nccc(C)c1Br
InChIInChI=1S/C10H14BrNO/c1-7-5-6-12-9(8(7)11)10(2,3)13-4/h5-6H,1-4H3
InChIKeyVMNUCDJAGRBKEA-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.03
Rot. Bonds2

About 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine

3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine (PubChem CID 177369235) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine
PubChem CID177369235
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine
SMILESCOC(C)(C)c1nccc(C)c1Br
InChIInChI=1S/C10H14BrNO/c1-7-5-6-12-9(8(7)11)10(2,3)13-4/h5-6H,1-4H3
InChIKeyVMNUCDJAGRBKEA-UHFFFAOYSA-N
XLogP3.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine 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-2-(2-methoxypropan-2-yl)pyridine
CID 151692049
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
CID 106875908
3-bromo-2-(3,3-dimethylbutoxy)-4-methylpyridine
CID 106878042
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769
methyl 2-tert-butyl-4-methylpyridine-3-carboxylate
CID 118501840
3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 106875473
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
3-bromo-2-[(3-bromo-4-methyl-2-pyridinyl)diselanyl]-4-methylpyridine
CID 101475776
1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106875638
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine?
The IUPAC name of 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine (CID 177369235) is 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine is COC(C)(C)c1nccc(C)c1Br.
What is the InChIKey of 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine?
The InChIKey is VMNUCDJAGRBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-5-6-12-9(8(7)11)10(2,3)13-4/h5-6H,1-4H3.
What are the key properties of 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine?
3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine has a molecular weight of 244.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-methoxypropan-2-yl)-4-methylpyridine is sourced from PubChem (CID 177369235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).