4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol

C13H11ClN2O — CID 139204499

IUPAC4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol
SMILESCc1cncc(/N=C/c2cc(Cl)ccc2O)c1
InChIInChI=1S/C13H11ClN2O/c1-9-4-12(8-15-6-9)16-7-10-5-11(14)2-3-13(10)17/h2-8,17H,1H3/b16-7+
InChIKeyRHTBPBOSJCPFIJ-FRKPEAEDSA-N
MW246.70 g/mol
LogP3.50
Rot. Bonds2

About 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol

4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol (PubChem CID 139204499) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol
PubChem CID139204499
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol
SMILESCc1cncc(/N=C/c2cc(Cl)ccc2O)c1
InChIInChI=1S/C13H11ClN2O/c1-9-4-12(8-15-6-9)16-7-10-5-11(14)2-3-13(10)17/h2-8,17H,1H3/b16-7+
InChIKeyRHTBPBOSJCPFIJ-FRKPEAEDSA-N
XLogP3.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]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-[(5-methyl-3-pyridinyl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol (CID 139204499) is 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol is Cc1cncc(/N=C/c2cc(Cl)ccc2O)c1.
What is the InChIKey of 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol?
The InChIKey is RHTBPBOSJCPFIJ-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-4-12(8-15-6-9)16-7-10-5-11(14)2-3-13(10)17/h2-8,17H,1H3/b16-7+.
What are the key properties of 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol?
4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol has a molecular weight of 246.70 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-methyl-3-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 139204499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).