3-(isocyanomethyl)-6-methoxy-2-methylpyridine

C9H10N2O — CID 58849692

IUPAC3-(isocyanomethyl)-6-methoxy-2-methylpyridine
SMILES[C-]#[N+]Cc1ccc(OC)nc1C
InChIInChI=1S/C9H10N2O/c1-7-8(6-10-2)4-5-9(11-7)12-3/h4-5H,6H2,1,3H3
InChIKeyZEYNMUHGGMTGKE-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.82
Rot. Bonds2

About 3-(isocyanomethyl)-6-methoxy-2-methylpyridine

3-(isocyanomethyl)-6-methoxy-2-methylpyridine (PubChem CID 58849692) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-(isocyanomethyl)-6-methoxy-2-methylpyridine.

Molecular Properties

Compound Name3-(isocyanomethyl)-6-methoxy-2-methylpyridine
PubChem CID58849692
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-(isocyanomethyl)-6-methoxy-2-methylpyridine
SMILES[C-]#[N+]Cc1ccc(OC)nc1C
InChIInChI=1S/C9H10N2O/c1-7-8(6-10-2)4-5-9(11-7)12-3/h4-5H,6H2,1,3H3
InChIKeyZEYNMUHGGMTGKE-UHFFFAOYSA-N
XLogP1.82
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 3-(isocyanomethyl)-6-methoxy-2-methylpyridine?
The IUPAC name of 3-(isocyanomethyl)-6-methoxy-2-methylpyridine (CID 58849692) is 3-(isocyanomethyl)-6-methoxy-2-methylpyridine.
What is the SMILES notation for 3-(isocyanomethyl)-6-methoxy-2-methylpyridine?
The canonical SMILES for 3-(isocyanomethyl)-6-methoxy-2-methylpyridine is [C-]#[N+]Cc1ccc(OC)nc1C.
What is the InChIKey of 3-(isocyanomethyl)-6-methoxy-2-methylpyridine?
The InChIKey is ZEYNMUHGGMTGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-8(6-10-2)4-5-9(11-7)12-3/h4-5H,6H2,1,3H3.
What are the key properties of 3-(isocyanomethyl)-6-methoxy-2-methylpyridine?
3-(isocyanomethyl)-6-methoxy-2-methylpyridine has a molecular weight of 162.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(isocyanomethyl)-6-methoxy-2-methylpyridine is sourced from PubChem (CID 58849692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).