2-[(2-chloro-4-pyridinyl)methoxy]aniline

C12H11ClN2O — CID 62469846

IUPAC2-[(2-chloro-4-pyridinyl)methoxy]aniline
SMILESNc1ccccc1OCc1ccnc(Cl)c1
InChIInChI=1S/C12H11ClN2O/c13-12-7-9(5-6-15-12)8-16-11-4-2-1-3-10(11)14/h1-7H,8,14H2
InChIKeyIJKJPDUVPFIVKV-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.90
Rot. Bonds3

About 2-[(2-chloro-4-pyridinyl)methoxy]aniline

2-[(2-chloro-4-pyridinyl)methoxy]aniline (PubChem CID 62469846) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)methoxy]aniline
PubChem CID62469846
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-[(2-chloro-4-pyridinyl)methoxy]aniline
SMILESNc1ccccc1OCc1ccnc(Cl)c1
InChIInChI=1S/C12H11ClN2O/c13-12-7-9(5-6-15-12)8-16-11-4-2-1-3-10(11)14/h1-7H,8,14H2
InChIKeyIJKJPDUVPFIVKV-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(2-chloro-4-pyridinyl)methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyridin-4-ylmethoxy)aniline
CID 16788077
2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
CID 63480612
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423
2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
CID 62045301
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
CID 139627675
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
4-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464594
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
4-[(2-phenylphenoxy)methyl]pyridin-2-amine
CID 62464761

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)methoxy]aniline?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)methoxy]aniline (CID 62469846) is 2-[(2-chloro-4-pyridinyl)methoxy]aniline.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)methoxy]aniline?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)methoxy]aniline is Nc1ccccc1OCc1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)methoxy]aniline?
The InChIKey is IJKJPDUVPFIVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-12-7-9(5-6-15-12)8-16-11-4-2-1-3-10(11)14/h1-7H,8,14H2.
What are the key properties of 2-[(2-chloro-4-pyridinyl)methoxy]aniline?
2-[(2-chloro-4-pyridinyl)methoxy]aniline has a molecular weight of 234.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)methoxy]aniline is sourced from PubChem (CID 62469846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).