2-bromo-3,4-dimethoxy-5-methylpyridine

C8H10BrNO2 — CID 174523781

IUPAC2-bromo-3,4-dimethoxy-5-methylpyridine
SMILESCOc1c(C)cnc(Br)c1OC
InChIInChI=1S/C8H10BrNO2/c1-5-4-10-8(9)7(12-3)6(5)11-2/h4H,1-3H3
InChIKeyAOSVXGDSQJFJAZ-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.17
Rot. Bonds2

About 2-bromo-3,4-dimethoxy-5-methylpyridine

2-bromo-3,4-dimethoxy-5-methylpyridine (PubChem CID 174523781) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-bromo-3,4-dimethoxy-5-methylpyridine.

Molecular Properties

Compound Name2-bromo-3,4-dimethoxy-5-methylpyridine
PubChem CID174523781
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name2-bromo-3,4-dimethoxy-5-methylpyridine
SMILESCOc1c(C)cnc(Br)c1OC
InChIInChI=1S/C8H10BrNO2/c1-5-4-10-8(9)7(12-3)6(5)11-2/h4H,1-3H3
InChIKeyAOSVXGDSQJFJAZ-UHFFFAOYSA-N
XLogP2.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methoxy-2,3,5-trimethylpyridine
CID 143004126
8-bromo-4-methoxy-3-methylquinoline;ethane
CID 144929757
2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130101773
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 142637848
4-bromo-2-methoxy-3,5-dimethylpyridine
CID 67811684
2-bromo-3-methoxy-4,6-dimethylpyridine
CID 46177892
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990
3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
CID 155138707
6-chloro-4-methoxy-3,8-dimethylquinoline
CID 129268371
3-methoxy-N,2,5-trimethylpyridin-4-amine
CID 143996352
2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28992033

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4-dimethoxy-5-methylpyridine?
The IUPAC name of 2-bromo-3,4-dimethoxy-5-methylpyridine (CID 174523781) is 2-bromo-3,4-dimethoxy-5-methylpyridine.
What is the SMILES notation for 2-bromo-3,4-dimethoxy-5-methylpyridine?
The canonical SMILES for 2-bromo-3,4-dimethoxy-5-methylpyridine is COc1c(C)cnc(Br)c1OC.
What is the InChIKey of 2-bromo-3,4-dimethoxy-5-methylpyridine?
The InChIKey is AOSVXGDSQJFJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-5-4-10-8(9)7(12-3)6(5)11-2/h4H,1-3H3.
What are the key properties of 2-bromo-3,4-dimethoxy-5-methylpyridine?
2-bromo-3,4-dimethoxy-5-methylpyridine has a molecular weight of 232.08 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4-dimethoxy-5-methylpyridine is sourced from PubChem (CID 174523781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).