ethyl N-(5-chloro-2-pyridinyl)methanimidate

C8H9ClN2O — CID 14710198

IUPACethyl N-(5-chloro-2-pyridinyl)methanimidate
SMILESCCO/C=N/c1ccc(Cl)cn1
InChIInChI=1S/C8H9ClN2O/c1-2-12-6-11-8-4-3-7(9)5-10-8/h3-6H,2H2,1H3/b11-6+
InChIKeyYISPUYNZMFLPAX-IZZDOVSWSA-N
MW184.63 g/mol
LogP2.43
Rot. Bonds3

About ethyl N-(5-chloro-2-pyridinyl)methanimidate

ethyl N-(5-chloro-2-pyridinyl)methanimidate (PubChem CID 14710198) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is ethyl N-(5-chloro-2-pyridinyl)methanimidate.

Molecular Properties

Compound Nameethyl N-(5-chloro-2-pyridinyl)methanimidate
PubChem CID14710198
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Nameethyl N-(5-chloro-2-pyridinyl)methanimidate
SMILESCCO/C=N/c1ccc(Cl)cn1
InChIInChI=1S/C8H9ClN2O/c1-2-12-6-11-8-4-3-7(9)5-10-8/h3-6H,2H2,1H3/b11-6+
InChIKeyYISPUYNZMFLPAX-IZZDOVSWSA-N
XLogP2.43
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl N-(5-chloro-2-pyridinyl)methanimidate 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 ethyl N-(5-chloro-2-pyridinyl)methanimidate?
The IUPAC name of ethyl N-(5-chloro-2-pyridinyl)methanimidate (CID 14710198) is ethyl N-(5-chloro-2-pyridinyl)methanimidate.
What is the SMILES notation for ethyl N-(5-chloro-2-pyridinyl)methanimidate?
The canonical SMILES for ethyl N-(5-chloro-2-pyridinyl)methanimidate is CCO/C=N/c1ccc(Cl)cn1.
What is the InChIKey of ethyl N-(5-chloro-2-pyridinyl)methanimidate?
The InChIKey is YISPUYNZMFLPAX-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-2-12-6-11-8-4-3-7(9)5-10-8/h3-6H,2H2,1H3/b11-6+.
What are the key properties of ethyl N-(5-chloro-2-pyridinyl)methanimidate?
ethyl N-(5-chloro-2-pyridinyl)methanimidate has a molecular weight of 184.63 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-chloro-2-pyridinyl)methanimidate is sourced from PubChem (CID 14710198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).