1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine

C9H12N2O2 — CID 163480274

IUPAC1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine
SMILES[H]/N=c1\cc(OCC2CO2)ccn1C
InChIInChI=1S/C9H12N2O2/c1-11-3-2-7(4-9(11)10)12-5-8-6-13-8/h2-4,8,10H,5-6H2,1H3/b10-9+
InChIKeyCDYBAFWDCJKCOA-MDZDMXLPSA-N
MW180.21 g/mol
LogP0.28
Rot. Bonds3

About 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine

1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine (PubChem CID 163480274) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine.

Molecular Properties

Compound Name1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine
PubChem CID163480274
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine
SMILES[H]/N=c1\cc(OCC2CO2)ccn1C
InChIInChI=1S/C9H12N2O2/c1-11-3-2-7(4-9(11)10)12-5-8-6-13-8/h2-4,8,10H,5-6H2,1H3/b10-9+
InChIKeyCDYBAFWDCJKCOA-MDZDMXLPSA-N
XLogP0.28
TPSA50.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4-Ethoxy-2-imino-1-pyridinyl)methanamine
CID 168894031

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine?
The IUPAC name of 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine (CID 163480274) is 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine.
What is the SMILES notation for 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine?
The canonical SMILES for 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine is [H]/N=c1\cc(OCC2CO2)ccn1C.
What is the InChIKey of 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine?
The InChIKey is CDYBAFWDCJKCOA-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-3-2-7(4-9(11)10)12-5-8-6-13-8/h2-4,8,10H,5-6H2,1H3/b10-9+.
What are the key properties of 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine?
1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine has a molecular weight of 180.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine is sourced from PubChem (CID 163480274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).