methyl 2-(2-imino-1-pyridinyl)acetate

C8H10N2O2 — CID 122129833

IUPACmethyl 2-(2-imino-1-pyridinyl)acetate
SMILES[H]/N=c1\ccccn1CC(=O)OC
InChIInChI=1S/C8H10N2O2/c1-12-8(11)6-10-5-3-2-4-7(10)9/h2-5,9H,6H2,1H3/b9-7+
InChIKeyVHJKVUVHYLPRIS-VQHVLOKHSA-N
MW166.18 g/mol
LogP0.14
Rot. Bonds2

About methyl 2-(2-imino-1-pyridinyl)acetate

methyl 2-(2-imino-1-pyridinyl)acetate (PubChem CID 122129833) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 2-(2-imino-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-imino-1-pyridinyl)acetate
PubChem CID122129833
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 2-(2-imino-1-pyridinyl)acetate
SMILES[H]/N=c1\ccccn1CC(=O)OC
InChIInChI=1S/C8H10N2O2/c1-12-8(11)6-10-5-3-2-4-7(10)9/h2-5,9H,6H2,1H3/b9-7+
InChIKeyVHJKVUVHYLPRIS-VQHVLOKHSA-N
XLogP0.14
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-imino-1-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-imino-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-imino-1-pyridinyl)acetate (CID 122129833) is methyl 2-(2-imino-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-imino-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-imino-1-pyridinyl)acetate is [H]/N=c1\ccccn1CC(=O)OC.
What is the InChIKey of methyl 2-(2-imino-1-pyridinyl)acetate?
The InChIKey is VHJKVUVHYLPRIS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-8(11)6-10-5-3-2-4-7(10)9/h2-5,9H,6H2,1H3/b9-7+.
What are the key properties of methyl 2-(2-imino-1-pyridinyl)acetate?
methyl 2-(2-imino-1-pyridinyl)acetate has a molecular weight of 166.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-imino-1-pyridinyl)acetate is sourced from PubChem (CID 122129833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).