N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine

C9H11ClN2O — CID 172749140

IUPACN-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine
SMILESCC=NOC(C)c1ccc(Cl)nc1
InChIInChI=1S/C9H11ClN2O/c1-3-12-13-7(2)8-4-5-9(10)11-6-8/h3-7H,1-2H3
InChIKeyKDCSZMTZCMLTKU-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.82
Rot. Bonds3

About N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine

N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine (PubChem CID 172749140) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine.

Molecular Properties

Compound NameN-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine
PubChem CID172749140
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine
SMILESCC=NOC(C)c1ccc(Cl)nc1
InChIInChI=1S/C9H11ClN2O/c1-3-12-13-7(2)8-4-5-9(10)11-6-8/h3-7H,1-2H3
InChIKeyKDCSZMTZCMLTKU-UHFFFAOYSA-N
XLogP2.82
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine?
The IUPAC name of N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine (CID 172749140) is N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine.
What is the SMILES notation for N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine?
The canonical SMILES for N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine is CC=NOC(C)c1ccc(Cl)nc1.
What is the InChIKey of N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine?
The InChIKey is KDCSZMTZCMLTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-3-12-13-7(2)8-4-5-9(10)11-6-8/h3-7H,1-2H3.
What are the key properties of N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine?
N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine has a molecular weight of 198.65 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine is sourced from PubChem (CID 172749140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).