2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde

C13H11ClN2O2 — CID 134238264

IUPAC2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde
SMILESCOc1c(Cl)ccc(N)c1-c1cc(C=O)ccn1
InChIInChI=1S/C13H11ClN2O2/c1-18-13-9(14)2-3-10(15)12(13)11-6-8(7-17)4-5-16-11/h2-7H,15H2,1H3
InChIKeyZXZUTPZNDYEUEI-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.81
Rot. Bonds3

About 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde

2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde (PubChem CID 134238264) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde
PubChem CID134238264
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde
SMILESCOc1c(Cl)ccc(N)c1-c1cc(C=O)ccn1
InChIInChI=1S/C13H11ClN2O2/c1-18-13-9(14)2-3-10(15)12(13)11-6-8(7-17)4-5-16-11/h2-7H,15H2,1H3
InChIKeyZXZUTPZNDYEUEI-UHFFFAOYSA-N
XLogP2.81
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde 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 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde (CID 134238264) is 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde is COc1c(Cl)ccc(N)c1-c1cc(C=O)ccn1.
What is the InChIKey of 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde?
The InChIKey is ZXZUTPZNDYEUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-18-13-9(14)2-3-10(15)12(13)11-6-8(7-17)4-5-16-11/h2-7H,15H2,1H3.
What are the key properties of 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde?
2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde has a molecular weight of 262.70 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-chloro-2-methoxyphenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 134238264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).