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

C9H10N2O — CID 163496494

IUPAC4-methoxy-5,6-dimethylpyridine-3-carbonitrile
SMILESCOc1c(C#N)cnc(C)c1C
InChIInChI=1S/C9H10N2O/c1-6-7(2)11-5-8(4-10)9(6)12-3/h5H,1-3H3
InChIKeyCRDXBFCMMUCFLI-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.58
Rot. Bonds1

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

4-methoxy-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 163496494) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-methoxy-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-5,6-dimethylpyridine-3-carbonitrile
PubChem CID163496494
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-methoxy-5,6-dimethylpyridine-3-carbonitrile
SMILESCOc1c(C#N)cnc(C)c1C
InChIInChI=1S/C9H10N2O/c1-6-7(2)11-5-8(4-10)9(6)12-3/h5H,1-3H3
InChIKeyCRDXBFCMMUCFLI-UHFFFAOYSA-N
XLogP1.58
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methoxy-2,3,5-trimethylpyridine
CID 143004126
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
4-methoxy-5,6-dimethylpyridin-3-ol
CID 15163512
4-methoxy-2,3-dimethyl-5-propan-2-ylpyridine
CID 176811168
4,5-dimethoxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096110
5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
CID 130077171
6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carbonitrile
CID 119008821
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
5-ethenyl-4,6-dimethylpyridine-3-carbonitrile
CID 166951007
7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile
CID 59849538
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
3-chloro-2,5-dimethoxy-4-methylbenzonitrile
CID 117302242

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-5,6-dimethylpyridine-3-carbonitrile (CID 163496494) is 4-methoxy-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-5,6-dimethylpyridine-3-carbonitrile is COc1c(C#N)cnc(C)c1C.
What is the InChIKey of 4-methoxy-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is CRDXBFCMMUCFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-7(2)11-5-8(4-10)9(6)12-3/h5H,1-3H3.
What are the key properties of 4-methoxy-5,6-dimethylpyridine-3-carbonitrile?
4-methoxy-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 163496494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).