5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile

C9H9BrN2O — CID 3686140

IUPAC5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1c(Br)c(C)nc(C)c1C#N
InChIInChI=1S/C9H9BrN2O/c1-5-7(4-11)9(13-3)8(10)6(2)12-5/h1-3H3
InChIKeyLYDPLUJDUXCFJV-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.34
Rot. Bonds1

About 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile

5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 3686140) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile
PubChem CID3686140
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1c(Br)c(C)nc(C)c1C#N
InChIInChI=1S/C9H9BrN2O/c1-5-7(4-11)9(13-3)8(10)6(2)12-5/h1-3H3
InChIKeyLYDPLUJDUXCFJV-UHFFFAOYSA-N
XLogP2.34
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-2-methylquinoline
CID 50915397
6-bromo-2,4-dimethylpyridine-3-carbonitrile
CID 130825112
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
5-bromo-2,3-dimethoxy-6-methylbenzonitrile
CID 117393170
2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 13408084
5-bromo-3-fluoro-2-methoxy-6-methylbenzonitrile
CID 117361663
7-bromo-6-methoxy-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
CID 166162066
3-bromo-5-methoxypyridine-4-carbonitrile
CID 119091286
3-bromo-6-methoxy-2,4-dimethylbenzonitrile
CID 50883121
6-bromo-4-fluoro-2,3-dimethoxybenzonitrile
CID 117403749
5-bromo-6-methoxy-2-methylindazole-7-carbonitrile
CID 168977559
5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile
CID 82651130

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile (CID 3686140) is 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile is COc1c(Br)c(C)nc(C)c1C#N.
What is the InChIKey of 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LYDPLUJDUXCFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-5-7(4-11)9(13-3)8(10)6(2)12-5/h1-3H3.
What are the key properties of 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile?
5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 241.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 3686140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).