3-isocyano-2,4-dimethoxy-6-methylpyridine

C9H10N2O2 — CID 140752938

IUPAC3-isocyano-2,4-dimethoxy-6-methylpyridine
SMILES[C-]#[N+]c1c(OC)cc(C)nc1OC
InChIInChI=1S/C9H10N2O2/c1-6-5-7(12-3)8(10-2)9(11-6)13-4/h5H,1,3-4H3
InChIKeyRLVBCUAKZSASCG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.96
Rot. Bonds2

About 3-isocyano-2,4-dimethoxy-6-methylpyridine

3-isocyano-2,4-dimethoxy-6-methylpyridine (PubChem CID 140752938) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-isocyano-2,4-dimethoxy-6-methylpyridine.

Molecular Properties

Compound Name3-isocyano-2,4-dimethoxy-6-methylpyridine
PubChem CID140752938
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-isocyano-2,4-dimethoxy-6-methylpyridine
SMILES[C-]#[N+]c1c(OC)cc(C)nc1OC
InChIInChI=1S/C9H10N2O2/c1-6-5-7(12-3)8(10-2)9(11-6)13-4/h5H,1,3-4H3
InChIKeyRLVBCUAKZSASCG-UHFFFAOYSA-N
XLogP1.96
TPSA35.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-isocyano-2-methoxy-4,6-dimethylpyridine
CID 140776700
2-(4-isocyano-3,5-dimethoxyphenyl)acetonitrile
CID 177120940
1-bromo-2-isocyano-3,5-dimethoxybenzene
CID 164663818
(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
CID 86686389
ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine
CID 171625416
3,5-dimethoxy-4-(111C)methylidyneazaniumylbenzoic acid
CID 177120819
5-(ethoxymethyl)-2-isocyano-1,3-dimethoxybenzene
CID 177120895
1-methoxy-3-methylisoquinoline
CID 66489764
1-isocyano-4,5-dimethoxy-2-methylbenzene
CID 58999561
2-(difluoromethyl)-4-methoxy-3,6-dimethylpyridine
CID 130101198
2-isocyano-4-methoxy-5-methylpyrimidine
CID 169072213
5-isocyano-6-methoxypyrazin-2-amine
CID 123894653

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-2,4-dimethoxy-6-methylpyridine?
The IUPAC name of 3-isocyano-2,4-dimethoxy-6-methylpyridine (CID 140752938) is 3-isocyano-2,4-dimethoxy-6-methylpyridine.
What is the SMILES notation for 3-isocyano-2,4-dimethoxy-6-methylpyridine?
The canonical SMILES for 3-isocyano-2,4-dimethoxy-6-methylpyridine is [C-]#[N+]c1c(OC)cc(C)nc1OC.
What is the InChIKey of 3-isocyano-2,4-dimethoxy-6-methylpyridine?
The InChIKey is RLVBCUAKZSASCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-5-7(12-3)8(10-2)9(11-6)13-4/h5H,1,3-4H3.
What are the key properties of 3-isocyano-2,4-dimethoxy-6-methylpyridine?
3-isocyano-2,4-dimethoxy-6-methylpyridine has a molecular weight of 178.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-2,4-dimethoxy-6-methylpyridine is sourced from PubChem (CID 140752938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).