3-bromo-6-methoxy-2-propan-2-ylpyridine

C9H12BrNO — CID 70868100

IUPAC3-bromo-6-methoxy-2-propan-2-ylpyridine
SMILESCOc1ccc(Br)c(C(C)C)n1
InChIInChI=1S/C9H12BrNO/c1-6(2)9-7(10)4-5-8(11-9)12-3/h4-6H,1-3H3
InChIKeyXQSQWLKRMRSZJE-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.98
Rot. Bonds2

About 3-bromo-6-methoxy-2-propan-2-ylpyridine

3-bromo-6-methoxy-2-propan-2-ylpyridine (PubChem CID 70868100) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-bromo-6-methoxy-2-propan-2-ylpyridine
PubChem CID70868100
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name3-bromo-6-methoxy-2-propan-2-ylpyridine
SMILESCOc1ccc(Br)c(C(C)C)n1
InChIInChI=1S/C9H12BrNO/c1-6(2)9-7(10)4-5-8(11-9)12-3/h4-6H,1-3H3
InChIKeyXQSQWLKRMRSZJE-UHFFFAOYSA-N
XLogP2.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
1-(3-fluoro-6-methoxy-2-pyridinyl)ethanamine
CID 84653773
2-(difluoromethyl)-6-methoxy-3-methylpyridine
CID 130097304
5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 114938397
6-bromo-5-chloro-2-methoxyquinoline
CID 84713362
2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine
CID 172584731
1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol
CID 67134747
2-(difluoromethyl)-3-(fluoromethyl)-6-methoxypyridine
CID 130097409
2-methoxy-7-propan-2-ylquinoline
CID 58290673
5-bromo-2-(6-methoxy-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136831512
6-methoxy-3-propan-2-ylpyridine-2-carbonitrile
CID 167457221
7-bromo-2-methoxy-5-methylquinolin-6-amine
CID 167472630

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2-propan-2-ylpyridine?
The IUPAC name of 3-bromo-6-methoxy-2-propan-2-ylpyridine (CID 70868100) is 3-bromo-6-methoxy-2-propan-2-ylpyridine.
What is the SMILES notation for 3-bromo-6-methoxy-2-propan-2-ylpyridine?
The canonical SMILES for 3-bromo-6-methoxy-2-propan-2-ylpyridine is COc1ccc(Br)c(C(C)C)n1.
What is the InChIKey of 3-bromo-6-methoxy-2-propan-2-ylpyridine?
The InChIKey is XQSQWLKRMRSZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(2)9-7(10)4-5-8(11-9)12-3/h4-6H,1-3H3.
What are the key properties of 3-bromo-6-methoxy-2-propan-2-ylpyridine?
3-bromo-6-methoxy-2-propan-2-ylpyridine has a molecular weight of 230.10 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2-propan-2-ylpyridine is sourced from PubChem (CID 70868100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).