3-isocyano-2-methoxy-4,6-dimethylpyridine

C9H10N2O — CID 140776700

IUPAC3-isocyano-2-methoxy-4,6-dimethylpyridine
SMILES[C-]#[N+]c1c(C)cc(C)nc1OC
InChIInChI=1S/C9H10N2O/c1-6-5-7(2)11-9(12-4)8(6)10-3/h5H,1-2,4H3
InChIKeyZBUZWFZPZDAOQU-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.26
Rot. Bonds1

About 3-isocyano-2-methoxy-4,6-dimethylpyridine

3-isocyano-2-methoxy-4,6-dimethylpyridine (PubChem CID 140776700) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-isocyano-2-methoxy-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-isocyano-2-methoxy-4,6-dimethylpyridine
PubChem CID140776700
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-isocyano-2-methoxy-4,6-dimethylpyridine
SMILES[C-]#[N+]c1c(C)cc(C)nc1OC
InChIInChI=1S/C9H10N2O/c1-6-5-7(2)11-9(12-4)8(6)10-3/h5H,1-2,4H3
InChIKeyZBUZWFZPZDAOQU-UHFFFAOYSA-N
XLogP2.26
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-isocyano-2,4-dimethoxy-6-methylpyridine
CID 140752938
(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
CID 86686389
ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine
CID 171625416
2-isocyano-4-methoxy-5-methylpyrimidine
CID 169072213
1-methoxy-3-methylisoquinoline
CID 66489764
5-bromo-2-isocyano-1,3-dimethylbenzene
CID 53429695
3-(3-fluorophenyl)-2-methoxy-4,6-dimethylpyridine
CID 141360585
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine
CID 163311507
2-bromo-3-methoxy-4,6-dimethylpyridine
CID 46177892
5-isocyano-6-methoxypyrazin-2-amine
CID 123894653
1-methoxy-3-methylisoquinolin-5-ol
CID 84661934
4-(isocyanomethyl)-2-methoxy-6-methylpyrimidine
CID 83480391

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-2-methoxy-4,6-dimethylpyridine?
The IUPAC name of 3-isocyano-2-methoxy-4,6-dimethylpyridine (CID 140776700) is 3-isocyano-2-methoxy-4,6-dimethylpyridine.
What is the SMILES notation for 3-isocyano-2-methoxy-4,6-dimethylpyridine?
The canonical SMILES for 3-isocyano-2-methoxy-4,6-dimethylpyridine is [C-]#[N+]c1c(C)cc(C)nc1OC.
What is the InChIKey of 3-isocyano-2-methoxy-4,6-dimethylpyridine?
The InChIKey is ZBUZWFZPZDAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-5-7(2)11-9(12-4)8(6)10-3/h5H,1-2,4H3.
What are the key properties of 3-isocyano-2-methoxy-4,6-dimethylpyridine?
3-isocyano-2-methoxy-4,6-dimethylpyridine has a molecular weight of 162.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-2-methoxy-4,6-dimethylpyridine is sourced from PubChem (CID 140776700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).