4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol

C14H13ClN2O — CID 137270315

IUPAC4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/CCc1ccccn1
InChIInChI=1S/C14H13ClN2O/c15-12-4-5-14(18)11(9-12)10-16-8-6-13-3-1-2-7-17-13/h1-5,7,9-10,18H,6,8H2/b16-10+
InChIKeySEPSJPPIUNLWEO-MHWRWJLKSA-N
MW260.72 g/mol
LogP3.10
Rot. Bonds4

About 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol

4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol (PubChem CID 137270315) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol
PubChem CID137270315
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/CCc1ccccn1
InChIInChI=1S/C14H13ClN2O/c15-12-4-5-14(18)11(9-12)10-16-8-6-13-3-1-2-7-17-13/h1-5,7,9-10,18H,6,8H2/b16-10+
InChIKeySEPSJPPIUNLWEO-MHWRWJLKSA-N
XLogP3.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol 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 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol (CID 137270315) is 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol is Oc1ccc(Cl)cc1/C=N/CCc1ccccn1.
What is the InChIKey of 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol?
The InChIKey is SEPSJPPIUNLWEO-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-4-5-14(18)11(9-12)10-16-8-6-13-3-1-2-7-17-13/h1-5,7,9-10,18H,6,8H2/b16-10+.
What are the key properties of 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol?
4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol has a molecular weight of 260.72 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-pyridin-2-ylethyliminomethyl)phenol is sourced from PubChem (CID 137270315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).