2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline

C12H11ClN2O — CID 62113791

IUPAC2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
SMILESCc1cccc(Oc2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O/c1-8-3-2-4-12(15-8)16-9-5-6-11(14)10(13)7-9/h2-7H,14H2,1H3
InChIKeyNUSLCHJHKKANQU-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline

2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline (PubChem CID 62113791) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
PubChem CID62113791
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
SMILESCc1cccc(Oc2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O/c1-8-3-2-4-12(15-8)16-9-5-6-11(14)10(13)7-9/h2-7H,14H2,1H3
InChIKeyNUSLCHJHKKANQU-UHFFFAOYSA-N
XLogP3.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline 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-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline?
The IUPAC name of 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline (CID 62113791) is 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline is Cc1cccc(Oc2ccc(N)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline?
The InChIKey is NUSLCHJHKKANQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-3-2-4-12(15-8)16-9-5-6-11(14)10(13)7-9/h2-7H,14H2,1H3.
What are the key properties of 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline?
2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline has a molecular weight of 234.69 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 62113791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).